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

Systemtic Name: 2-[methyl-[2-(3-methylphenyl)quinolin-4-yl]carbothioyl-amino]ethanoic acid Openeye Name: 2-[methyl-[2-(m-tolyl)quinoline-4-carbothioyl]amino]acetic acid CAS Name: 2-[methyl-[[2-(3-methylphenyl)-4-quinolinyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-[2-(3-methylphenyl)quinoline-4-carbothioyl]amino]acetic acid Traditional Name: 2-[methyl-[2-(m-tolyl)quinoline-4-carbothioyl]amino]acetic acid Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=S)N(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C20H18N2O2S/c1-13-6-5-7-14(10-13)18-11-16(20(25)22(2)12-19(23)24)15-8-3-4-9-17(15)21-18/h3-11H,12H2,1-2H3,(H,23,24)