1-butyl-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1-ethylbenzimidazol-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4N3CC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4N3CC

InChI

InChI=1S/C21H25N5O2S2/c1-3-5-12-26-19-11-10-15(30(22,27)28)13-17(19)23-20(26)14-29-21-24-16-8-6-7-9-18(16)25(21)4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H2,22,27,28)