methyl 4-[[(E)-C-(4-methylphenyl)-N-(phenylsulfonylmethyl)carbonimidoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-C-(4-methylphenyl)-N-(phenylsulfonylmethyl)carbonimidoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-N-(benzenesulfonylmethyl)-C-(p-tolyl)carbonimidoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-benzenesulfonylmethylimino-(4-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-N-(benzenesulfonylmethyl)-C-(4-methylphenyl)carbonimidoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-N-(besylmethyl)-C-(p-tolyl)carbonimidoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S2/c1-17-8-10-18(11-9-17)22(25-16-33(29,30)21-6-4-3-5-7-21)27-24(32)26-20-14-12-19(13-15-20)23(28)31-2/h3-15H,16H2,1-2H3,(H2,25,26,27,32)