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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

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