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

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 2-(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=C2C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC=C2C(=O)OC)OC

InChI

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