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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC5=C4N=CC=C5

InChI

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