1-(diphenylamino)-3-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]thiourea

Systemtic Name: 1-(diphenylamino)-3-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]thiourea Openeye Name: 1-(N-phenylanilino)-3-[(E)-C-phenyl-N-(p-tolylsulfonylmethyl)carbonimidoyl]thiourea CAS Name: 1-[(E)-(4-methylphenyl)sulfonylmethylimino-phenylmethyl]-3-(N-phenylanilino)thiourea IUPAC Name: 1-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenylcarbonimidoyl]-3-(N-phenylanilino)thiourea Traditional Name: 1-(N-phenylanilino)-3-[(E)-C-phenyl-N-(tosylmethyl)carbonimidoyl]thiourea Formula: C28H26N4O2S2 MolecularWeight: 514.66164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C2=CC=CC=C2)NC(=S)NN(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C/N=C(\C2=CC=CC=C2)/NC(=S)NN(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O2S2/c1-22-17-19-26(20-18-22)36(33,34)21-29-27(23-11-5-2-6-12-23)30-28(35)31-32(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,21H2,1H3,(H2,29,30,31,35)