4-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[6-(3-ketopiperazino)-3-pyridyl]benzamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O2S/c24-18-5-8-20(9-6-18)31-15-16-1-3-17(4-2-16)23(30)27-19-7-10-21(26-13-19)28-12-11-25-22(29)14-28/h1-10,13H,11-12,14-15H2,(H,25,29)(H,27,30)