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

Systemtic Name: dimethyl 5-(methylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(methylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[methylamino(sulfanylidene)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(methylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(methylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CNC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H14N2O4S/c1-13-12(19)14-9-5-7(10(15)17-2)4-8(6-9)11(16)18-3/h4-6H,1-3H3,(H2,13,14,19)