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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Formula: C22H16BrN4O3S3+ MolecularWeight: 560.48644

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H15BrN4O3S3/c23-14-10-11-17-19(12-14)32-21(24-17)26-20(28)13-31-22-25-16-8-4-5-9-18(16)27(22)33(29,30)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,26,28)/p+1