5-[7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylphenyl)sulfanyl-heptyl]-2-methoxy-phenol

Systemtic Name: 5-[7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylphenyl)sulfanyl-heptyl]-2-methoxy-phenol Openeye Name: 5-[7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(p-tolylsulfanyl)heptyl]-2-methoxy-phenol CAS Name: 5-[7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-methylphenyl)thio]heptyl]-2-methoxyphenol IUPAC Name: 5-[7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylphenyl)sulfanylheptyl]-2-methoxyphenol Traditional Name: 5-[7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(p-tolylthio)heptyl]-2-methoxy-phenol Formula: C32H41NO4S MolecularWeight: 535.73724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC(=C(C=C4)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC(=C(C=C4)OC)O

InChI

InChI=1S/C32H41NO4S/c1-23-10-13-27(14-11-23)38-32(25-12-15-29(35-2)28(34)19-25)9-7-5-6-8-17-33-18-16-24-20-30(36-3)31(37-4)21-26(24)22-33/h10-15,19-21,32,34H,5-9,16-18,22H2,1-4H3