methyl 4,5-dimethoxy-2-(phenethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(phenethylcarbamothioylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-(phenethylcarbamothioylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[(phenethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-(phenethylcarbamothioylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(phenethylthiocarbamoylamino)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)C(=O)OC)NC(=S)NCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCCC2=CC=CC=C2)OC

InChI

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