2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-1-methyl-2-oxo-propyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-1-methyl-propyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H21N5O3S3 MolecularWeight: 499.62884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C22H21N5O3S3/c1-3-10-27-18-9-8-14(33(24,29)30)11-17(18)26-22(27)31-13(2)20(28)15(12-23)21-25-16-6-4-5-7-19(16)32-21/h4-9,11,13,25H,3,10H2,1-2H3,(H2,24,29,30)/b21-15+