1-butyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=C(N3)C=C(C=C4)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=C(N3)C=C(C=C4)OCC

InChI

InChI=1S/C21H25N5O3S2/c1-3-5-10-26-19-9-7-15(31(22,27)28)12-18(19)23-20(26)13-30-21-24-16-8-6-14(29-4-2)11-17(16)25-21/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,24,25)(H2,22,27,28)