N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-m-toluoylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H28N4O2S/c1-21-5-2-7-23(19-21)29(35)33-17-15-32(16-18-33)25-12-10-24(11-13-25)31-27(34)20-36-26-9-3-6-22-8-4-14-30-28(22)26/h2-14,19H,15-18,20H2,1H3,(H,31,34)