diethyl 5-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-sulfamoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-sulfamoylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OCC

InChI

InChI=1S/C19H21N3O6S2/c1-3-27-17(23)12-9-13(18(24)28-4-2)11-15(10-12)22-19(29)21-14-5-7-16(8-6-14)30(20,25)26/h5-11H,3-4H2,1-2H3,(H2,20,25,26)(H2,21,22,29)