5,6-dimethoxy-1-[7-(4-methylphenyl)sulfanylheptyl]-2,3-dihydro-1H-isoindole

Systemtic Name: 5,6-dimethoxy-1-[7-(4-methylphenyl)sulfanylheptyl]-2,3-dihydro-1H-isoindole Openeye Name: 5,6-dimethoxy-1-[7-(p-tolylsulfanyl)heptyl]isoindoline CAS Name: 5,6-dimethoxy-1-[7-[(4-methylphenyl)thio]heptyl]-2,3-dihydro-1H-isoindole IUPAC Name: 5,6-dimethoxy-1-[7-(4-methylphenyl)sulfanylheptyl]-2,3-dihydro-1H-isoindole Traditional Name: 5,6-dimethoxy-1-[7-(p-tolylthio)heptyl]isoindoline Formula: C24H33NO2S MolecularWeight: 399.58932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCCCCC2C3=CC(=C(C=C3CN2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCCCCC2C3=CC(=C(C=C3CN2)OC)OC

InChI

InChI=1S/C24H33NO2S/c1-18-10-12-20(13-11-18)28-14-8-6-4-5-7-9-22-21-16-24(27-3)23(26-2)15-19(21)17-25-22/h10-13,15-16,22,25H,4-9,14,17H2,1-3H3