1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-[2-[(methylthio)methyl]-1-benzimidazolyl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[2-[(methylthio)methyl]benzimidazol-1-yl]ethanone Formula: C23H26N5OS2+ MolecularWeight: 452.61544

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N5OS2/c1-30-16-21-24-17-6-2-4-8-19(17)28(21)15-23(29)27-12-10-26(11-13-27)14-22-25-18-7-3-5-9-20(18)31-22/h2-9H,10-16H2,1H3/p+1