N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C22H20ClF3N2OS MolecularWeight: 452.92021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClF3N2OS/c1-4-18(21(29)27-17-11-14(22(24,25)26)8-9-16(17)23)30-19-10-13(3)15-7-5-6-12(2)20(15)28-19/h5-11,18H,4H2,1-3H3,(H,27,29)