dimethyl 5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-sulfamoylphenyl)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C19H21N3O6S2/c1-27-17(23)13-9-14(18(24)28-2)11-15(10-13)22-19(29)21-8-7-12-3-5-16(6-4-12)30(20,25)26/h3-6,9-11H,7-8H2,1-2H3,(H2,20,25,26)(H2,21,22,29)