1-(4-piperazin-1-ylphenyl)-2-quinolin-4-ylsulfanyl-ethanone hydrochloride

Systemtic Name: 1-(4-piperazin-1-ylphenyl)-2-quinolin-4-ylsulfanyl-ethanone hydrochloride Openeye Name: 1-(4-piperazin-1-ylphenyl)-2-(4-quinolylsulfanyl)ethanone hydrochloride CAS Name: 1-[4-(1-piperazinyl)phenyl]-2-(4-quinolinylthio)ethanone hydrochloride IUPAC Name: 1-(4-piperazin-1-ylphenyl)-2-quinolin-4-ylsulfanylethanone hydrochloride Traditional Name: 1-(4-piperazinophenyl)-2-(4-quinolylthio)ethanone hydrochloride Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43.Cl

InChI

InChI=1S/C21H21N3OS.ClH/c25-20(15-26-21-9-10-23-19-4-2-1-3-18(19)21)16-5-7-17(8-6-16)24-13-11-22-12-14-24;/h1-10,22H,11-15H2;1H