2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C22H21N5O3S3 MolecularWeight: 499.62884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C22H21N5O3S3/c1-2-3-10-27-18-9-8-14(33(24,29)30)11-17(18)26-22(27)31-13-19(28)15(12-23)21-25-16-6-4-5-7-20(16)32-21/h4-9,11,25H,2-3,10,13H2,1H3,(H2,24,29,30)