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

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-2-(8-quinolylthio)acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S/c1-18(2)25(31)29-15-13-28(14-16-29)21-10-8-20(9-11-21)27-23(30)17-32-22-7-3-5-19-6-4-12-26-24(19)22/h3-12,18H,13-17H2,1-2H3,(H,27,30)