2-isoquinolin-5-yl-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide

Systemtic Name: 2-isoquinolin-5-yl-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide Openeye Name: 2-(5-isoquinolyl)-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide CAS Name: 2-(5-isoquinolinyl)-2-methyl-N-[[4-(trifluoromethylthio)phenyl]methyl]propanamide IUPAC Name: 2-isoquinolin-5-yl-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide Traditional Name: 2-(5-isoquinolyl)-2-methyl-N-[4-(trifluoromethylthio)benzyl]propionamide Formula: C21H19F3N2OS MolecularWeight: 404.44857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CC(C)(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C21H19F3N2OS/c1-20(2,18-5-3-4-15-13-25-11-10-17(15)18)19(27)26-12-14-6-8-16(9-7-14)28-21(22,23)24/h3-11,13H,12H2,1-2H3,(H,26,27)