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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5S2/c1-15-7-8-20(13-16(15)2)27-34(30,31)21-11-9-19(10-12-21)25-24(33)26-22(28)17-5-4-6-18(14-17)23(29)32-3/h4-14,27H,1-3H3,(H2,25,26,28,33)