diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(homoveratrylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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