6,7-dimethoxy-1-[6-(phenylmethylsulfanyl)hexyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7-dimethoxy-1-[6-(phenylmethylsulfanyl)hexyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(6-benzylsulfanylhexyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-dimethoxy-1-[6-(phenylmethylthio)hexyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(6-benzylsulfanylhexyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[6-(benzylthio)hexyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C24H33NO2S MolecularWeight: 399.58932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CCCCCCSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CCCCCCSCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H33NO2S/c1-26-23-16-20-13-14-25-22(21(20)17-24(23)27-2)12-8-3-4-9-15-28-18-19-10-6-5-7-11-19/h5-7,10-11,16-17,22,25H,3-4,8-9,12-15,18H2,1-2H3