1-[4-(3-chlorophenyl)piperazin-1-yl]-2-isoquinolin-1-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-isoquinolin-1-ylsulfanyl-ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-isoquinolylsulfanyl)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-(1-isoquinolinylthio)ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-isoquinolin-1-ylsulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(1-isoquinolylthio)ethanone Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c22-17-5-3-6-18(14-17)24-10-12-25(13-11-24)20(26)15-27-21-19-7-2-1-4-16(19)8-9-23-21/h1-9,14H,10-13,15H2