N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(difluoromethylthio)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(difluoromethylthio)phenyl]acetamide Formula: C20H18F2N2O2S MolecularWeight: 388.430926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C20H18F2N2O2S/c1-13(25)24-11-10-14-4-2-3-5-17(14)18(24)12-19(26)23-15-6-8-16(9-7-15)27-20(21)22/h2-11,18,20H,12H2,1H3,(H,23,26)