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

Systemtic Name: 1-propyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-propyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-propyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-propyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-propyl-2-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethylthio]benzimidazole-5-sulfonamide Formula: C19H20N4O5S3 MolecularWeight: 480.5809

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C19H20N4O5S3/c1-2-9-22-16-8-7-13(30(20,25)26)12-15(16)21-19(22)29-11-10-23-18(24)14-5-3-4-6-17(14)31(23,27)28/h3-8,12H,2,9-11H2,1H3,(H2,20,25,26)