2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-(homoveratrylthiocarbamoylamino)phenyl]acetic acid 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=C(C=C2)CC(=O)O)OC

Isomeric SMILES

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

InChI

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