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

Systemtic Name: dimethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(homoveratrylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C21H24N2O6S/c1-26-17-6-5-13(9-18(17)27-2)7-8-22-21(30)23-16-11-14(19(24)28-3)10-15(12-16)20(25)29-4/h5-6,9-12H,7-8H2,1-4H3,(H2,22,23,30)