5-hexyl-6-(4-methylphenyl)sulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Systemtic Name: 5-hexyl-6-(4-methylphenyl)sulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline Openeye Name: 5-hexyl-6-(p-tolylsulfanyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline CAS Name: 5-hexyl-6-[(4-methylphenyl)thio]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline IUPAC Name: 5-hexyl-6-(4-methylphenyl)sulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline Traditional Name: 5-hexyl-6-(p-tolylthio)-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinoline Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=CC3=C(C=C2CCN1SC4=CC=C(C=C4)C)OCO3

Isomeric SMILES

CCCCCCC1C2=CC3=C(C=C2CCN1SC4=CC=C(C=C4)C)OCO3

InChI

InChI=1S/C23H29NO2S/c1-3-4-5-6-7-21-20-15-23-22(25-16-26-23)14-18(20)12-13-24(21)27-19-10-8-17(2)9-11-19/h8-11,14-15,21H,3-7,12-13,16H2,1-2H3