1-phenyl-3-[(E)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]thiourea

Systemtic Name: 1-phenyl-3-[(E)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]thiourea Openeye Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-phenyl-carbonimidoyl]-3-phenyl-thiourea CAS Name: 1-[(E)-benzenesulfonylmethylimino(phenyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-phenylthiourea Traditional Name: 1-[(E)-N-(besylmethyl)-C-phenyl-carbonimidoyl]-3-phenyl-thiourea Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\CS(=O)(=O)C2=CC=CC=C2)/NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S2/c25-28(26,19-14-8-3-9-15-19)16-22-20(17-10-4-1-5-11-17)24-21(27)23-18-12-6-2-7-13-18/h1-15H,16H2,(H2,22,23,24,27)