2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[3-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-[3-(trifluoromethyl)phenyl]butyramide Formula: C22H21F3N2OS MolecularWeight: 418.47515

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C22H21F3N2OS/c1-4-18(21(28)26-16-9-6-8-15(12-16)22(23,24)25)29-19-11-14(3)17-10-5-7-13(2)20(17)27-19/h5-12,18H,4H2,1-3H3,(H,26,28)