2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[6-(3-ketopiperazino)-3-pyridyl]benzamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H21N5O3S/c30-22-14-29(12-11-25-22)21-10-9-17(13-26-21)27-23(31)18-6-2-1-5-16(18)15-33-24-28-19-7-3-4-8-20(19)32-24/h1-10,13H,11-12,14-15H2,(H,25,30)(H,27,31)