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

Systemtic Name: N-(6-methoxy-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-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C23H19N4O4S3+ MolecularWeight: 511.61636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H18N4O4S3/c1-31-15-11-12-18-20(13-15)33-22(24-18)26-21(28)14-32-23-25-17-9-5-6-10-19(17)27(23)34(29,30)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26,28)/p+1