6,7-dibutyl-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

Systemtic Name: 6,7-dibutyl-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one Openeye Name: 6,7-dibutyl-3-isobutyl-9,10-dimethoxy-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one CAS Name: 6,7-dibutyl-7a,11a-dimercapto-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one IUPAC Name: 6,7-dibutyl-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one Traditional Name: 6,7-dibutyl-3-isobutyl-7a,11a-dimercapto-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one Formula: C27H45NO3S2 MolecularWeight: 495.7811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N2CC(C(=O)CC2C3(C1(C=C(C(=C3)OC)OC)S)S)CC(C)C)CCCC

Isomeric SMILES

CCCCC1C(N2CC(C(=O)CC2C3(C1(C=C(C(=C3)OC)OC)S)S)CC(C)C)CCCC

InChI

InChI=1S/C27H45NO3S2/c1-7-9-11-20-21(12-10-8-2)28-17-19(13-18(3)4)22(29)14-25(28)27(33)16-24(31-6)23(30-5)15-26(20,27)32/h15-16,18-21,25,32-33H,7-14,17H2,1-6H3