1-butyl-2-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl]thio]benzimidazole-5-sulfonamide Formula: C19H21N5O3S3 MolecularWeight: 463.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)[C@H](C#N)C3=NC(=CS3)C

InChI

InChI=1S/C19H21N5O3S3/c1-3-4-7-24-16-6-5-13(30(21,26)27)8-15(16)23-19(24)29-11-17(25)14(9-20)18-22-12(2)10-28-18/h5-6,8,10,14H,3-4,7,11H2,1-2H3,(H2,21,26,27)/t14-/m0/s1