N-(5-bromanyl-1,3-thiazol-2-yl)-2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-bromanyl-1,3-thiazol-2-yl)-2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-bromothiazol-2-yl)-2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(5-bromo-2-thiazolyl)-2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(5-bromo-1,3-thiazol-2-yl)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(5-bromothiazol-2-yl)-2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C16H18BrN5O3S3 MolecularWeight: 504.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=NC=C(S3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=NC=C(S3)Br

InChI

InChI=1S/C16H18BrN5O3S3/c1-2-3-6-22-12-5-4-10(28(18,24)25)7-11(12)20-16(22)26-9-14(23)21-15-19-8-13(17)27-15/h4-5,7-8H,2-3,6,9H2,1H3,(H2,18,24,25)(H,19,21,23)