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

Systemtic Name: N-(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-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C22H17N4O3S3+ MolecularWeight: 481.59038

Click to see the large picture

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=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N4O3S3/c27-20(25-21-23-17-11-5-7-13-19(17)31-21)14-30-22-24-16-10-4-6-12-18(16)26(22)32(28,29)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25,27)/p+1