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

Systemtic Name: 1-butyl-2-[(1-propylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1-propylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(1-propyl-2-imidazolyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1-propylimidazol-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1-propylimidazol-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3CCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3CCC

InChI

InChI=1S/C18H25N5O2S2/c1-3-5-10-23-16-7-6-14(27(19,24)25)12-15(16)21-17(23)13-26-18-20-8-11-22(18)9-4-2/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H2,19,24,25)