N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[4-(4-p-toluoylpiperazino)phenyl]-2-(2-pyridylthio)acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O2S/c1-19-5-7-20(8-6-19)25(31)29-16-14-28(15-17-29)22-11-9-21(10-12-22)27-23(30)18-32-24-4-2-3-13-26-24/h2-13H,14-18H2,1H3,(H,27,30)