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

Systemtic Name: N-[4-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-[4-(3-chlorobenzoyl)piperazino]phenyl]-2-(8-quinolylthio)acetamide Formula: C28H25ClN4O2S MolecularWeight: 517.0417

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN4O2S/c29-22-7-1-5-21(18-22)28(35)33-16-14-32(15-17-33)24-11-9-23(10-12-24)31-26(34)19-36-25-8-2-4-20-6-3-13-30-27(20)25/h1-13,18H,14-17,19H2,(H,31,34)