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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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