1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(o-tolyl)thiourea CAS Name: 1-[(Z)-(4-chlorophenyl)sulfonylimino-phenylmethyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(o-tolyl)thiourea Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O2S2/c1-15-7-5-6-10-19(15)23-21(28)24-20(16-8-3-2-4-9-16)25-29(26,27)18-13-11-17(22)12-14-18/h2-14H,1H3,(H2,23,24,25,28)