2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N4O3S2/c1-2-3-10-23-16-9-8-13(28(20,24)25)11-15(16)21-18(23)12-27-19-22-14-6-4-5-7-17(14)26-19/h4-9,11H,2-3,10,12H2,1H3,(H2,20,24,25)