N-[5-chloranyl-2-(trifluoromethyl)phenyl]-3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[5-chloranyl-2-(trifluoromethyl)phenyl]-3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(8-methoxy-4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(8-methoxy-4-methyl-2-quinolyl)thio]propionamide Formula: C21H18ClF3N2O2S MolecularWeight: 454.89303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=C(C=CC(=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=C(C=CC(=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N2O2S/c1-12-10-19(27-20-14(12)4-3-5-17(20)29-2)30-9-8-18(28)26-16-11-13(22)6-7-15(16)21(23,24)25/h3-7,10-11H,8-9H2,1-2H3,(H,26,28)