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

Systemtic Name: 1-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-(4-nitrophenyl)-3-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]thiourea CAS Name: 1-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-(4-nitrophenyl)-3-[(E)-C-phenyl-N-tosyl-carbonimidoyl]thiourea Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S2/c1-15-7-13-19(14-8-15)31(28,29)24-20(16-5-3-2-4-6-16)23-21(30)22-17-9-11-18(12-10-17)25(26)27/h2-14H,1H3,(H2,22,23,24,30)