methyl 3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5S2/c1-27(16-17-7-4-3-5-8-17)34(30,31)21-13-11-20(12-14-21)25-24(33)26-22(28)18-9-6-10-19(15-18)23(29)32-2/h3-15H,16H2,1-2H3,(H2,25,26,28,33)