2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(benzylcarbamoyl)-2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4S2/c1-2-3-11-26-18-10-9-16(32(22,29)30)12-17(18)24-21(26)31-14-19(27)25-20(28)23-13-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13-14H2,1H3,(H2,22,29,30)(H2,23,25,27,28)