dimethyl 2-(cyclopropylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(cyclopropylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(cyclopropylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(cyclopropylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2CC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2CC2

InChI

InChI=1S/C14H16N2O4S/c1-19-12(17)8-3-6-10(13(18)20-2)11(7-8)16-14(21)15-9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H2,15,16,21)