3-oxidanyl-2-[2-[4-(2-propylsulfanylphenyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 3-oxidanyl-2-[2-[4-(2-propylsulfanylphenyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-[4-(2-propylsulfanylphenyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[4-[2-(propylthio)phenyl]-1-piperazinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-[4-(2-propylsulfanylphenyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-[4-[2-(propylthio)phenyl]piperazino]ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C27H31N3O2S MolecularWeight: 461.61894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1N2CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

CCCSC1=CC=CC=C1N2CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C27H31N3O2S/c1-2-19-33-24-12-4-3-11-23(24)29-16-13-28(14-17-29)15-18-30-26(31)21-9-5-7-20-8-6-10-22(25(20)21)27(30)32/h3-12,26,31H,2,13-19H2,1H3