N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
type: datablock
datablock name: UTG
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

UTG
type: chem comp
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
chem comp.id: UTG
chem comp.formula: C12 H11 Cl N2 O S
chem comp.formula weight: 266.747
chem comp.name: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2020-06-01
chem comp.pdbx model coordinates db code: 6X6X
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2021-07-23
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: UTG
chem comp.type: non-polymer

C4,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.807
chem comp atom.model cartn y: -8.717
chem comp atom.model cartn z: 35.234
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.479
chem comp atom.pdbx model cartn y ideal: 1.418
chem comp atom.pdbx model cartn z ideal: -0.644
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.148
chem comp atom.model cartn y: -8.220
chem comp atom.model cartn z: 34.108
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.167
chem comp atom.pdbx model cartn y ideal: 0.085
chem comp atom.pdbx model cartn z ideal: -0.411
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.551
chem comp atom.model cartn y: -9.592
chem comp atom.model cartn z: 32.131
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.152
chem comp atom.pdbx model cartn y ideal: 0.374
chem comp atom.pdbx model cartn z ideal: 0.035
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N1,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: UTG
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.439
chem comp atom.model cartn y: -9.989
chem comp atom.model cartn z: 32.759
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N1
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.436
chem comp atom.pdbx model cartn y ideal: 0.012
chem comp atom.pdbx model cartn z ideal: -0.155
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C7,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.573
chem comp atom.model cartn y: -11.030
chem comp atom.model cartn z: 32.246
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.516
chem comp atom.pdbx model cartn y ideal: 0.803
chem comp atom.pdbx model cartn z ideal: 0.439
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.811
chem comp atom.model cartn y: -12.352
chem comp atom.model cartn z: 32.877
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.845
chem comp atom.pdbx model cartn y ideal: 0.190
chem comp atom.pdbx model cartn z ideal: 0.078
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.493
chem comp atom.model cartn y: -12.875
chem comp atom.model cartn z: 34.070
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.580
chem comp atom.pdbx model cartn y ideal: 0.489
chem comp atom.pdbx model cartn z ideal: -1.009
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.071
chem comp atom.model cartn y: -14.170
chem comp atom.model cartn z: 34.120
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.741
chem comp atom.pdbx model cartn y ideal: -0.315
chem comp atom.pdbx model cartn z ideal: -0.951
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.693
chem comp atom.model cartn y: -14.353
chem comp atom.model cartn z: 32.961
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.647
chem comp atom.pdbx model cartn y ideal: -1.057
chem comp atom.pdbx model cartn z ideal: 0.167
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

S,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: S
chem comp atom.comp id: UTG
chem comp atom.alt atom id: S1
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.937
chem comp atom.model cartn y: -10.045
chem comp atom.model cartn z: 30.565
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: S
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.217
chem comp atom.pdbx model cartn y ideal: 1.759
chem comp atom.pdbx model cartn z ideal: 0.971
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

N,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: N
chem comp atom.comp id: UTG
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.361
chem comp atom.model cartn y: -8.755
chem comp atom.model cartn z: 32.816
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.842
chem comp atom.pdbx model cartn y ideal: -0.354
chem comp atom.pdbx model cartn z ideal: -0.512
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C3,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.430
chem comp atom.model cartn y: -8.302
chem comp atom.model cartn z: 36.504
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.788
chem comp atom.pdbx model cartn y ideal: 1.847
chem comp atom.pdbx model cartn z ideal: -0.544
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.413
chem comp atom.model cartn y: -7.379
chem comp atom.model cartn z: 36.667
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.789
chem comp atom.pdbx model cartn y ideal: 0.951
chem comp atom.pdbx model cartn z ideal: -0.216
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.768
chem comp atom.model cartn y: -6.850
chem comp atom.model cartn z: 35.562
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.483
chem comp atom.pdbx model cartn y ideal: -0.378
chem comp atom.pdbx model cartn z ideal: 0.012
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: C
chem comp atom.comp id: UTG
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.142
chem comp atom.model cartn y: -7.267
chem comp atom.model cartn z: 34.295
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.174
chem comp atom.pdbx model cartn y ideal: -0.813
chem comp atom.pdbx model cartn z ideal: -0.077
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CL,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: CL
chem comp atom.comp id: UTG
chem comp atom.alt atom id: CL1
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.328
chem comp atom.model cartn y: -6.590
chem comp atom.model cartn z: 32.920
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.790
chem comp atom.pdbx model cartn y ideal: -2.481
chem comp atom.pdbx model cartn z ideal: 0.215
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

O,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: O
chem comp atom.comp id: UTG
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.552
chem comp atom.model cartn y: -13.249
chem comp atom.model cartn z: 32.161
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: O
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.499
chem comp atom.pdbx model cartn y ideal: -0.742
chem comp atom.pdbx model cartn z ideal: 0.789
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.613
chem comp atom.model cartn y: -9.427
chem comp atom.model cartn z: 35.117
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.698
chem comp atom.pdbx model cartn y ideal: 2.119
chem comp atom.pdbx model cartn z ideal: -0.900
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.194
chem comp atom.model cartn y: -9.547
chem comp atom.model cartn z: 33.622
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.645
chem comp atom.pdbx model cartn y ideal: -0.773
chem comp atom.pdbx model cartn z ideal: -0.686
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.529
chem comp atom.model cartn y: -10.738
chem comp atom.model cartn z: 32.430
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.471
chem comp atom.pdbx model cartn y ideal: 1.823
chem comp atom.pdbx model cartn z ideal: 0.058
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.743
chem comp atom.model cartn y: -11.124
chem comp atom.model cartn z: 31.163
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.404
chem comp atom.pdbx model cartn y ideal: 0.815
chem comp atom.pdbx model cartn z ideal: 1.523
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.909
chem comp atom.model cartn y: -12.401
chem comp atom.model cartn z: 34.845
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.330
chem comp atom.pdbx model cartn y ideal: 1.205
chem comp atom.pdbx model cartn z ideal: -1.778
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.016
chem comp atom.model cartn y: -14.870
chem comp atom.model cartn z: 34.940
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.549
chem comp atom.pdbx model cartn y ideal: -0.331
chem comp atom.pdbx model cartn z ideal: -1.668
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.234
chem comp atom.model cartn y: -15.247
chem comp atom.model cartn z: 32.687
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.373
chem comp atom.pdbx model cartn y ideal: -1.780
chem comp atom.pdbx model cartn z ideal: 0.509
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.207
chem comp atom.model cartn y: -8.483
chem comp atom.model cartn z: 32.358
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.639
chem comp atom.pdbx model cartn y ideal: -1.181
chem comp atom.pdbx model cartn z ideal: -0.975
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.934
chem comp atom.model cartn y: -8.703
chem comp atom.model cartn z: 37.371
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.030
chem comp atom.pdbx model cartn y ideal: 2.885
chem comp atom.pdbx model cartn z ideal: -0.721
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.121
chem comp atom.model cartn y: -7.070
chem comp atom.model cartn z: 37.660
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.811
chem comp atom.pdbx model cartn y ideal: 1.290
chem comp atom.pdbx model cartn z ideal: -0.138
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,UTG
type: chem comp atom
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: UTG
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.982
chem comp atom.model cartn y: -6.120
chem comp atom.model cartn z: 35.686
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: UTG
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.267
chem comp atom.pdbx model cartn y ideal: -1.076
chem comp atom.pdbx model cartn z ideal: 0.268
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

S,C6,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: S
chem comp bond.atom id 2: C6
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C6,N1,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: N1
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,N,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: N
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,C8,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: O
chem comp bond.atom id 2: C8
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,C11,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: O
chem comp bond.atom id 2: C11
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,N1,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: N1
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,C8,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,C5,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: C5
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,C9,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C9
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CL,C,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: CL
chem comp bond.atom id 2: C
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,C10,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C10
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C9,C10,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,C,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,C4,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C4
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,C1,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: C1
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,C3,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C3
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C1,C2,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C3,C2,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H1,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H1
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,H2,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: H2
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H3,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H3
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H4,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H4
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H5,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H5
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H6,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H6
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H7,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H7
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H8,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H8
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H9,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H9
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,H10,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H10
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H11,UTG
type: chem comp bond
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/UTG/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H11
chem comp bond.comp id: UTG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,UTG,2020-06-01
type: pdbx chem comp audit
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: UTG
pdbx chem comp audit.date: 2020-06-01
pdbx chem comp audit.processing site: RCSB

Initial release,UTG,2021-07-28
type: pdbx chem comp audit
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: UTG
pdbx chem comp audit.date: 2021-07-28
pdbx chem comp audit.processing site: RCSB

UTG,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: UTG
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cccc(c1NC(NCc2ccco2)=S)Cl

UTG,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: UTG
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17)

UTG,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: UTG
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: QDQNQQPXAIJIJW-UHFFFAOYSA-N

UTG,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: UTG
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: Clc1ccccc1NC(=S)NCc2occc2

UTG,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: UTG
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Clc1ccccc1NC(=S)NCc2occc2

UTG,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: UTG
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1ccc(c(c1)NC(=S)NCc2ccco2)Cl

UTG,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: UTG
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1ccc(c(c1)NC(=S)NCc2ccco2)Cl

UTG,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: UTG
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea

UTG,OpenEye OEToolkits,2.0.7,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: UTG
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.7
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 1-(2-chlorophenyl)-3-(furan-2-ylmethyl)thiourea