6,7-dimethoxy-2-(7-phenyl-7-phenylsulfanyl-heptyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-(7-phenyl-7-phenylsulfanyl-heptyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-(7-phenyl-7-phenylsulfanyl-heptyl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[7-phenyl-7-(phenylthio)heptyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(7-phenyl-7-phenylsulfanylheptyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[7-phenyl-7-(phenylthio)heptyl]-3,4-dihydro-1H-isoquinoline Formula: C30H37NO2S MolecularWeight: 475.68528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCCCC(C3=CC=CC=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCCCC(C3=CC=CC=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C30H37NO2S/c1-32-28-21-25-18-20-31(23-26(25)22-29(28)33-2)19-12-4-3-11-17-30(24-13-7-5-8-14-24)34-27-15-9-6-10-16-27/h5-10,13-16,21-22,30H,3-4,11-12,17-20,23H2,1-2H3