Chem
J-GLOBAL ID:200907051050530799   Nikkaji number:J2.122.327A

3-Nitro-4-[α-(1H-benzimidazole-2-ylthio)-β-oxo-4-bromophenethyl]benzamide

3-ニトロ-4-[α-(1H-ベンゾイミダゾール-2-イルチオ)-β-オキソ-4-ブロモフェネチル]ベンズアミド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C22H15BrN3[N+]O3[O-]S
Molecular formula furigana: C22-H15-BR-N4-O4-S
Molecular weight: 511.350
InChI: InChI=1S/C22H15BrN4O4S/c23-14-8-5-12(6-9-14)19(28)20(32-22-25-16-3-1-2-4-17(16)26-22)15-10-7-13(21(24)29)11-18(15)27(30)31/h1-11,20H,(H2,24,29)(H,25,26)
InChI key: YFLOGLZXYWXELT-UHFFFAOYSA-N
SMILES: NC(=O)c1ccc(C(Sc2nc3ccccc3[nH]2)C(=O)c2ccc(Br)cc2)c(c1)[N+](=O)[O-]
Systematic name  (3):
  • 3-ニトロ-4-[α-(1H-ベンゾイミダゾール-2-イルチオ)-β-オキソ-4-ブロモフェネチル]ベンズアミド
  • 4-[1-(1H-1,3-ベンゾジアゾール-2-イルスルファニル)-2-(4-ブロモフェニル)-2-オキソエチル]-3-ニトロベンズアミド
  • 4-[1-(1H-1,3-benzodiazol-2-ylsulfanyl)-2-(4-bromophenyl)-2-oxoethyl]-3-nitrobenzamide
Other name (1):
  • 3-Nitro-4-[α-(1H-benzimidazole-2-ylthio)-β-oxo-4-bromophenethyl]benzamide
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