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

Systemtic Name: 1-(4-methylphenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea Openeye Name: 1-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea Traditional Name: 1-[(E)-C-phenyl-N-tosyl-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(=NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S2/c1-16-8-12-19(13-9-16)23-22(28)24-21(18-6-4-3-5-7-18)25-29(26,27)20-14-10-17(2)11-15-20/h3-15H,1-2H3,(H2,23,24,25,28)