methyl 4,5-dimethoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[(4-sulfamoylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H19N3O6S2 MolecularWeight: 425.47926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC

InChI

InChI=1S/C17H19N3O6S2/c1-24-14-8-12(16(21)26-3)13(9-15(14)25-2)20-17(27)19-10-4-6-11(7-5-10)28(18,22)23/h4-9H,1-3H3,(H2,18,22,23)(H2,19,20,27)