2-[7-[3-(2-imidazol-1-ylethoxy)-4-methoxy-phenyl]-7-(4-methylphenyl)sulfanyl-heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[7-[3-(2-imidazol-1-ylethoxy)-4-methoxy-phenyl]-7-(4-methylphenyl)sulfanyl-heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[7-[3-(2-imidazol-1-ylethoxy)-4-methoxy-phenyl]-7-(p-tolylsulfanyl)heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[7-[3-[2-(1-imidazolyl)ethoxy]-4-methoxyphenyl]-7-[(4-methylphenyl)thio]heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[7-[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]-7-(4-methylphenyl)sulfanylheptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[7-[3-(2-imidazol-1-ylethoxy)-4-methoxy-phenyl]-7-(p-tolylthio)heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C37H47N3O4S MolecularWeight: 629.85178

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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)OCCN5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC(=C(C=C4)OC)OCCN5C=CN=C5

InChI

InChI=1S/C37H47N3O4S/c1-28-10-13-32(14-11-28)45-37(30-12-15-33(41-2)36(24-30)44-22-21-40-20-17-38-27-40)9-7-5-6-8-18-39-19-16-29-23-34(42-3)35(43-4)25-31(29)26-39/h10-15,17,20,23-25,27,37H,5-9,16,18-19,21-22,26H2,1-4H3