2-[[2-(4-chlorophenyl)-7,8-dimethyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)-7,8-dimethyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)-7,8-dimethyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(4-chlorophenyl)-7,8-dimethyl-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-chlorophenyl)-7,8-dimethylquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(4-chlorophenyl)-7,8-dimethyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=S)N(C)CC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=S)N(C)CC(=O)O)C

InChI

InChI=1S/C21H19ClN2O2S/c1-12-4-9-16-17(21(27)24(3)11-19(25)26)10-18(23-20(16)13(12)2)14-5-7-15(22)8-6-14/h4-10H,11H2,1-3H3,(H,25,26)