N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H20F2N2O2S2 MolecularWeight: 410.501106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)SC(F)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=C(C=C3)SC(F)F)OC

InChI

InChI=1S/C19H20F2N2O2S2/c1-24-16-9-12-7-8-23(11-13(12)10-17(16)25-2)19(26)22-14-3-5-15(6-4-14)27-18(20)21/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,22,26)