dimethyl 5-[(4-ethanoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-ethanoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-acetylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-acetylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-acetylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-acetylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H18N2O5S/c1-11(22)12-4-6-15(7-5-12)20-19(27)21-16-9-13(17(23)25-2)8-14(10-16)18(24)26-3/h4-10H,1-3H3,(H2,20,21,27)