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

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2-(2-quinolylthio)acetamide Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H28N4OS/c33-27(21-34-28-15-10-23-8-4-5-9-26(23)30-28)29-24-11-13-25(14-12-24)32-18-16-31(17-19-32)20-22-6-2-1-3-7-22/h1-15H,16-21H2,(H,29,33)