2-[methyl-[2-propyl-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-[2-propyl-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-amino]ethanoic acid Openeye Name: 2-[methyl-[2-propyl-8-(trifluoromethyl)quinoline-4-carbothioyl]amino]acetic acid CAS Name: 2-[methyl-[[2-propyl-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-[2-propyl-8-(trifluoromethyl)quinoline-4-carbothioyl]amino]acetic acid Traditional Name: 2-[methyl-[2-propyl-8-(trifluoromethyl)quinoline-4-carbothioyl]amino]acetic acid Formula: C17H17F3N2O2S MolecularWeight: 370.38929

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2C(F)(F)F)C(=C1)C(=S)N(C)CC(=O)O

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2C(F)(F)F)C(=C1)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C17H17F3N2O2S/c1-3-5-10-8-12(16(25)22(2)9-14(23)24)11-6-4-7-13(15(11)21-10)17(18,19)20/h4,6-8H,3,5,9H2,1-2H3,(H,23,24)