1-[4-(4-fluorophenyl)piperazin-1-yl]-2-isoquinolin-1-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-isoquinolin-1-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-isoquinolylsulfanyl)ethanone CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-2-(1-isoquinolinylthio)ethanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-isoquinolin-1-ylsulfanylethanone Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-2-(1-isoquinolylthio)ethanone Formula: C21H20FN3OS MolecularWeight: 381.466403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H20FN3OS/c22-17-5-7-18(8-6-17)24-11-13-25(14-12-24)20(26)15-27-21-19-4-2-1-3-16(19)9-10-23-21/h1-10H,11-15H2