dimethyl 5-(cyclopropylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(cyclopropylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(cyclopropylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(cyclopropylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(cyclopropylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(cyclopropylthiocarbamoylamino)benzene-1,3-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(=CC(=C1)NC(=S)NC2CC2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-19-12(17)8-5-9(13(18)20-2)7-11(6-8)16-14(21)15-10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,15,16,21)