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

Systemtic Name: 2-[[2-(4-cyclohexylphenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-cyclohexylphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(4-cyclohexylphenyl)-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-cyclohexylphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(4-cyclohexylphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C26H25F3N2O2S MolecularWeight: 486.54911

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C26H25F3N2O2S/c1-31(15-23(32)33)25(34)20-14-22(30-24-19(20)8-5-9-21(24)26(27,28)29)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7,15H2,1H3,(H,32,33)