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

Systemtic Name: dipropan-2-yl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(homoveratrylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-15(2)32-23(28)18-12-19(24(29)33-16(3)4)14-20(13-18)27-25(34)26-10-9-17-7-8-21(30-5)22(11-17)31-6/h7-8,11-16H,9-10H2,1-6H3,(H2,26,27,34)