N-(4-tert-butylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N4O3S2/c1-5-12-26-19-11-10-17(31(23,28)29)13-18(19)25-21(26)30-14-20(27)24-16-8-6-15(7-9-16)22(2,3)4/h6-11,13H,5,12,14H2,1-4H3,(H,24,27)(H2,23,28,29)