1-(4-methylphenyl)-3-[(Z)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[(Z)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea Openeye Name: 1-[(Z)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-3-(p-tolyl)thiourea CAS Name: 1-[(Z)-benzenesulfonylimino(phenyl)methyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[(Z)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[(Z)-N-besyl-C-phenyl-carbonimidoyl]-3-(p-tolyl)thiourea Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N/C(=N\S(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S2/c1-16-12-14-18(15-13-16)22-21(27)23-20(17-8-4-2-5-9-17)24-28(25,26)19-10-6-3-7-11-19/h2-15H,1H3,(H2,22,23,24,27)