N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-benzoylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2S/c33-26(20-35-25-10-4-8-21-9-5-15-29-27(21)25)30-23-11-13-24(14-12-23)31-16-18-32(19-17-31)28(34)22-6-2-1-3-7-22/h1-15H,16-20H2,(H,30,33)