8-isoquinolin-4-ylsulfanyl-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one

Systemtic Name: 8-isoquinolin-4-ylsulfanyl-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one Openeye Name: 8-(4-isoquinolylsulfanyl)-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one CAS Name: 8-(4-isoquinolinylthio)-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one IUPAC Name: 8-isoquinolin-4-ylsulfanyl-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one Traditional Name: 8-(4-isoquinolylthio)-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one Formula: C23H22N2OS MolecularWeight: 374.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)NC1CCC3=C2C=CC(=C3)SC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CC12CCC(=O)NC1CCC3=C2C=CC(=C3)SC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C23H22N2OS/c1-23-11-10-22(26)25-21(23)9-6-15-12-17(7-8-19(15)23)27-20-14-24-13-16-4-2-3-5-18(16)20/h2-5,7-8,12-14,21H,6,9-11H2,1H3,(H,25,26)