2-[[2-(4-chlorophenyl)-6-methyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)-6-methyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)-6-methyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(4-chlorophenyl)-6-methyl-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-chlorophenyl)-6-methylquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(4-chlorophenyl)-6-methyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C3=CC=C(C=C3)Cl

InChI

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