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

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-2-(2-pyridylthio)acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H26N4O2S/c1-16(2)21(27)25-13-11-24(12-14-25)18-8-6-17(7-9-18)23-19(26)15-28-20-5-3-4-10-22-20/h3-10,16H,11-15H2,1-2H3,(H,23,26)