1-[4-[4-[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[4-(2-quinolylsulfanylmethyl)benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[oxo-[4-[(2-quinolinylthio)methyl]phenyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[4-(quinolin-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[4-[(2-quinolylthio)methyl]benzoyl]piperazino]phenyl]ethanone Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H27N3O2S/c1-21(33)23-10-13-26(14-11-23)31-16-18-32(19-17-31)29(34)25-8-6-22(7-9-25)20-35-28-15-12-24-4-2-3-5-27(24)30-28/h2-15H,16-20H2,1H3