N-[5-chloranyl-2-(trifluoromethyl)phenyl]-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[5-chloranyl-2-(trifluoromethyl)phenyl]-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H18ClF3N2OS MolecularWeight: 438.89363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C=CC(=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C=CC(=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N2OS/c1-12-4-3-5-15-13(2)10-19(27-20(12)15)29-9-8-18(28)26-17-11-14(22)6-7-16(17)21(23,24)25/h3-7,10-11H,8-9H2,1-2H3,(H,26,28)