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

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C25H27N6OS+ MolecularWeight: 459.58648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H26N6OS/c1-30-12-14-31(15-13-30)23-11-10-20(16-26-23)27-24(32)19-8-6-18(7-9-19)17-33-25-28-21-4-2-3-5-22(21)29-25/h2-11,16H,12-15,17H2,1H3,(H,27,32)(H,28,29)/p+1