N-[1-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[1-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[1-[2-oxo-2-[4-(3-pyridylmethyl)piperazin-1-yl]ethyl]pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[1-[2-oxo-2-[4-(3-pyridinylmethyl)-1-piperazinyl]ethyl]-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[1-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[1-[2-keto-2-[4-(3-pyridylmethyl)piperazino]ethyl]pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C23H26N6O2S MolecularWeight: 450.55654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2S/c30-22(18-32-21-6-2-1-3-7-21)26-20-14-25-29(16-20)17-23(31)28-11-9-27(10-12-28)15-19-5-4-8-24-13-19/h1-8,13-14,16H,9-12,15,17-18H2,(H,26,30)