diethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-(homoveratrylthiocarbamoylamino)benzene-1,4-dicarboxylic acid diethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H28N2O6S/c1-5-30-21(26)16-8-9-17(22(27)31-6-2)18(14-16)25-23(32)24-12-11-15-7-10-19(28-3)20(13-15)29-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,24,25,32)