N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[6-(cyclohexylthio)-1,3-dimethyl-2-oxo-5-benzimidazolyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[6-(cyclohexylthio)-2-keto-1,3-dimethyl-benzimidazol-5-yl]piazthiole-4-sulfonamide Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)SC3CCCCC3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)SC3CCCCC3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H23N5O3S3/c1-25-16-11-15(24-32(28,29)19-10-6-9-14-20(19)23-31-22-14)18(12-17(16)26(2)21(25)27)30-13-7-4-3-5-8-13/h6,9-13,24H,3-5,7-8H2,1-2H3