2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-N-[3-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[(8-methoxy-4-methyl-2-quinolyl)thio]-N-[3-(trifluoromethyl)phenyl]butyramide Formula: C22H21F3N2O2S MolecularWeight: 434.47455

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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=C3OC)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC3=C(C=CC=C3OC)C(=C2)C

InChI

InChI=1S/C22H21F3N2O2S/c1-4-18(21(28)26-15-8-5-7-14(12-15)22(23,24)25)30-19-11-13(2)16-9-6-10-17(29-3)20(16)27-19/h5-12,18H,4H2,1-3H3,(H,26,28)