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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C19H22N2O4S/c1-24-16-8-5-13(11-17(16)25-2)9-10-20-19(26)21-12-14-3-6-15(7-4-14)18(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)(H2,20,21,26)