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

Systemtic Name: N-(6-ethoxy-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-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C24H21N4O4S3+ MolecularWeight: 525.64294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=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/C24H20N4O4S3/c1-2-32-16-12-13-19-21(14-16)34-23(25-19)27-22(29)15-33-24-26-18-10-6-7-11-20(18)28(24)35(30,31)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,25,27,29)/p+1