8-(isoquinolin-3-ylmethylsulfanyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

Systemtic Name: 8-(isoquinolin-3-ylmethylsulfanyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one Openeye Name: 8-(3-isoquinolylmethylsulfanyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one CAS Name: 8-(3-isoquinolinylmethylthio)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one IUPAC Name: 8-(isoquinolin-3-ylmethylsulfanyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one Traditional Name: 8-(3-isoquinolylmethylthio)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one Formula: C25H26N2OS MolecularWeight: 402.55174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)N(C1CCC3=C2C=CC(=C3)SCC4=CC5=CC=CC=C5C=N4)C

Isomeric SMILES

CC12CCC(=O)N(C1CCC3=C2C=CC(=C3)SCC4=CC5=CC=CC=C5C=N4)C

InChI

InChI=1S/C25H26N2OS/c1-25-12-11-24(28)27(2)23(25)10-7-18-14-21(8-9-22(18)25)29-16-20-13-17-5-3-4-6-19(17)15-26-20/h3-6,8-9,13-15,23H,7,10-12,16H2,1-2H3