1-(4-nitrophenyl)-3-[(E)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[(E)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]thiourea Openeye Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-phenyl-carbonimidoyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(E)-benzenesulfonylmethylimino(phenyl)methyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(E)-N-(besylmethyl)-C-phenyl-carbonimidoyl]-3-(4-nitrophenyl)thiourea Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S2/c26-25(27)18-13-11-17(12-14-18)23-21(30)24-20(16-7-3-1-4-8-16)22-15-31(28,29)19-9-5-2-6-10-19/h1-14H,15H2,(H2,22,23,24,30)