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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=NCS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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