N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-(phenylthio)nicotinamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c28-21-16-27(14-13-24-21)18-10-8-17(9-11-18)15-26-22(29)20-7-4-12-25-23(20)30-19-5-2-1-3-6-19/h1-12H,13-16H2,(H,24,28)(H,26,29)