N-(4-bromanyl-3-methyl-phenyl)-2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C20H23BrN4O3S2 MolecularWeight: 511.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C20H23BrN4O3S2/c1-3-4-9-25-18-8-6-15(30(22,27)28)11-17(18)24-20(25)29-12-19(26)23-14-5-7-16(21)13(2)10-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,23,26)(H2,22,27,28)