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

Systemtic Name: 2-[(7,8-dimethyl-2-phenyl-quinolin-4-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(7,8-dimethyl-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(7,8-dimethyl-2-phenyl-4-quinolinyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(7,8-dimethyl-2-phenylquinoline-4-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(7,8-dimethyl-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-13-9-10-16-17(21(26)23(3)12-19(24)25)11-18(22-20(16)14(13)2)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,24,25)