2-[methyl(2-quinolin-2-ylsulfanylethanoyl)amino]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[methyl(2-quinolin-2-ylsulfanylethanoyl)amino]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[methyl-[2-(2-quinolylsulfanyl)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[methyl-[1-oxo-2-(2-quinolinylthio)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[methyl-(2-quinolin-2-ylsulfanylacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[methyl-[2-(2-quinolylthio)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18F3N3O2S/c1-27(12-18(28)25-17-9-5-3-7-15(17)21(22,23)24)20(29)13-30-19-11-10-14-6-2-4-8-16(14)26-19/h2-11H,12-13H2,1H3,(H,25,28)