1-ethyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethylthio]benzimidazole-5-sulfonamide Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C18H18N4O5S3/c1-2-21-15-8-7-12(29(19,24)25)11-14(15)20-18(21)28-10-9-22-17(23)13-5-3-4-6-16(13)30(22,26)27/h3-8,11H,2,9-10H2,1H3,(H2,19,24,25)