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

Systemtic Name: methyl 3-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[methyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-[methyl(phenyl)sulfamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=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(C1=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/C23H21N3O5S2/c1-26(19-9-4-3-5-10-19)33(29,30)20-13-11-18(12-14-20)24-23(32)25-21(27)16-7-6-8-17(15-16)22(28)31-2/h3-15H,1-2H3,(H2,24,25,27,32)