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

Systemtic Name: N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-propionylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-2-23(30)28-15-13-27(14-16-28)20-10-8-19(9-11-20)26-22(29)17-31-21-7-3-5-18-6-4-12-25-24(18)21/h3-12H,2,13-17H2,1H3,(H,26,29)