N-[3-(trifluoromethyl)phenyl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3-(trifluoromethyl)phenyl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[3-(trifluoromethyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[3-(trifluoromethyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[3-(trifluoromethyl)phenyl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[3-(trifluoromethyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H21F3N2OS MolecularWeight: 418.47515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C)C

InChI

InChI=1S/C22H21F3N2OS/c1-13-9-15(3)21-18(10-13)14(2)11-20(27-21)29-8-7-19(28)26-17-6-4-5-16(12-17)22(23,24)25/h4-6,9-12H,7-8H2,1-3H3,(H,26,28)