6,7-dimethoxy-2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[1-[(4-methylsulfanylphenyl)methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[1-[[4-(methylthio)phenyl]methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[1-[4-(methylthio)benzyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CC=C(C=C4)SC)OC

InChI

InChI=1S/C24H32N2O2S/c1-27-23-13-19-10-12-26(16-20(19)14-24(23)28-2)21-5-4-11-25(17-21)15-18-6-8-22(29-3)9-7-18/h6-9,13-14,21H,4-5,10-12,15-17H2,1-3H3