2-[[8-chloranyl-2-(3-methylphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[8-chloranyl-2-(3-methylphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[8-chloro-2-(m-tolyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[8-chloro-2-(3-methylphenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[8-chloro-2-(3-methylphenyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[8-chloro-2-(m-tolyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=S)N(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C20H17ClN2O2S/c1-12-5-3-6-13(9-12)17-10-15(20(26)23(2)11-18(24)25)14-7-4-8-16(21)19(14)22-17/h3-10H,11H2,1-2H3,(H,24,25)