N-[(4-nitrophenyl)carbamoyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-nitrophenyl)carbamoyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(4-nitroanilino)-oxomethyl]-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(4-nitrophenyl)carbamoyl]-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(4-nitrophenyl)carbamoyl]-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C19H20N6O6S2 MolecularWeight: 492.5287

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6S2/c1-2-9-24-16-8-7-14(33(20,30)31)10-15(16)22-19(24)32-11-17(26)23-18(27)21-12-3-5-13(6-4-12)25(28)29/h3-8,10H,2,9,11H2,1H3,(H2,20,30,31)(H2,21,23,26,27)