4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[6-(3-ketopiperazino)-3-pyridyl]benzamide Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H22N6O2S/c31-22-14-30(12-11-25-22)21-10-9-18(13-26-21)27-23(32)17-7-5-16(6-8-17)15-33-24-28-19-3-1-2-4-20(19)29-24/h1-10,13H,11-12,14-15H2,(H,25,31)(H,27,32)(H,28,29)