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

Systemtic Name: 1-[(E)-C-(4-methylphenyl)-N-(phenylsulfonylmethyl)carbonimidoyl]-3-phenyl-thiourea Openeye Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-(p-tolyl)carbonimidoyl]-3-phenyl-thiourea CAS Name: 1-[(E)-benzenesulfonylmethylimino-(4-methylphenyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]-3-phenylthiourea Traditional Name: 1-[(E)-N-(besylmethyl)-C-(p-tolyl)carbonimidoyl]-3-phenyl-thiourea Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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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=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N\CS(=O)(=O)C2=CC=CC=C2)/NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S2/c1-17-12-14-18(15-13-17)21(25-22(28)24-19-8-4-2-5-9-19)23-16-29(26,27)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H2,23,24,25,28)