N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Formula: C23H18BrN4OS2+ MolecularWeight: 510.44922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C23H17BrN4OS2/c24-16-10-11-18-20(12-16)31-22(25-18)27-21(29)14-30-23-26-17-8-4-5-9-19(17)28(23)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27,29)/p+1