2-[[2-(4-methoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(4-methoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(4-methoxyphenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18N2O3S/c1-22(12-19(23)24)20(26)16-11-18(13-7-9-14(25-2)10-8-13)21-17-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3,(H,23,24)