1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-(2-quinolylthio)ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H25N3OS/c1-17-6-5-9-21(18(17)2)25-12-14-26(15-13-25)23(27)16-28-22-11-10-19-7-3-4-8-20(19)24-22/h3-11H,12-16H2,1-2H3