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

Systemtic Name: 2-[methyl-(2-phenylquinolin-4-yl)carbothioyl-amino]ethanoic acid Openeye Name: 2-[methyl-(2-phenylquinoline-4-carbothioyl)amino]acetic acid CAS Name: 2-[methyl-[(2-phenyl-4-quinolinyl)-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-(2-phenylquinoline-4-carbothioyl)amino]acetic acid Traditional Name: 2-[methyl-(2-phenylquinoline-4-carbothioyl)amino]acetic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O2S/c1-21(12-18(22)23)19(24)15-11-17(13-7-3-2-4-8-13)20-16-10-6-5-9-14(15)16/h2-11H,12H2,1H3,(H,22,23)