dimethyl 2-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-sulfamoylphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S2/c1-25-15(21)10-3-8-13(16(22)26-2)14(9-10)20-17(27)19-11-4-6-12(7-5-11)28(18,23)24/h3-9H,1-2H3,(H2,18,23,24)(H2,19,20,27)