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

Systemtic Name: 3-[(E)-C-(4-methylphenyl)-N-(phenylsulfonylmethyl)carbonimidoyl]-1,1-diphenyl-thiourea Openeye Name: 3-[(E)-N-(benzenesulfonylmethyl)-C-(p-tolyl)carbonimidoyl]-1,1-diphenyl-thiourea CAS Name: 3-[(E)-benzenesulfonylmethylimino-(4-methylphenyl)methyl]-1,1-diphenylthiourea IUPAC Name: 3-[(E)-N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]-1,1-diphenylthiourea Traditional Name: 3-[(E)-N-(besylmethyl)-C-(p-tolyl)carbonimidoyl]-1,1-diphenyl-thiourea Formula: C28H25N3O2S2 MolecularWeight: 499.647

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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)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O2S2/c1-22-17-19-23(20-18-22)27(29-21-35(32,33)26-15-9-4-10-16-26)30-28(34)31(24-11-5-2-6-12-24)25-13-7-3-8-14-25/h2-20H,21H2,1H3,(H,29,30,34)