dimethyl 2-[(4-ethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-ethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-ethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-ethylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-ethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-ethylphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-4-12-5-8-14(9-6-12)20-19(26)21-16-11-13(17(22)24-2)7-10-15(16)18(23)25-3/h5-11H,4H2,1-3H3,(H2,20,21,26)