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

Systemtic Name: 1-[(E)-C-(4-methylphenyl)-N-(phenylsulfonylmethyl)carbonimidoyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-(p-tolyl)carbonimidoyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(E)-benzenesulfonylmethylimino-(4-methylphenyl)methyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(E)-N-(besylmethyl)-C-(p-tolyl)carbonimidoyl]-3-(4-nitrophenyl)thiourea Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=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/C22H20N4O4S2/c1-16-7-9-17(10-8-16)21(23-15-32(29,30)20-5-3-2-4-6-20)25-22(31)24-18-11-13-19(14-12-18)26(27)28/h2-14H,15H2,1H3,(H2,23,24,25,31)