methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(4-sulfamoylphenyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S2/c1-24-16(21)13-4-6-14(7-5-13)20-17(25)19-11-10-12-2-8-15(9-3-12)26(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)(H2,19,20,25)