methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 3-(homoveratrylthiocarbamoylamino)benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-23-16-8-7-13(11-17(16)24-2)9-10-20-19(26)21-15-6-4-5-14(12-15)18(22)25-3/h4-8,11-12H,9-10H2,1-3H3,(H2,20,21,26)