1-butyl-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C23H27N5O2S2/c1-4-5-11-28-21-9-8-19(32(24,29)30)14-20(21)26-22(28)15-31-23-25-10-12-27(23)18-7-6-16(2)17(3)13-18/h6-10,12-14H,4-5,11,15H2,1-3H3,(H2,24,29,30)