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

Systemtic Name: 1-(4-nitrophenyl)-3-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]thiourea Openeye Name: 1-[(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(E)-benzenesulfonylimino(phenyl)methyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(E)-N-besyl-C-phenyl-carbonimidoyl]-3-(4-nitrophenyl)thiourea Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H16N4O4S2/c25-24(26)17-13-11-16(12-14-17)21-20(29)22-19(15-7-3-1-4-8-15)23-30(27,28)18-9-5-2-6-10-18/h1-14H,(H2,21,22,23,29)