1-(2-methylphenyl)-3-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea Openeye Name: 1-[(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-3-(o-tolyl)thiourea CAS Name: 1-[(E)-benzenesulfonylimino(phenyl)methyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(E)-N-besyl-C-phenyl-carbonimidoyl]-3-(o-tolyl)thiourea Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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