2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-(difluoromethylsulfanyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4-(difluoromethylthio)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(difluoromethylsulfanyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(difluoromethylthio)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H16F2N2O2S MolecularWeight: 362.393646

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)SC(F)F)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)SC(F)F)C(=O)N

InChI

InChI=1S/C18H16F2N2O2S/c19-18(20)25-14-7-5-11(6-8-14)17(24)22-10-13-4-2-1-3-12(13)9-15(22)16(21)23/h1-8,15,18H,9-10H2,(H2,21,23)