Chem
J-GLOBAL ID：200907002132748902   Nikkaji number：J309.506A

N-(1,3-Benzodioxol-5-ylmethyl)-N′-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine

N-(1,3-ベンゾジオキソール-5-イルメチル)-N′-[2-[[[5-[(ジメチルアミノ)メチル]-2-フラニル]メチル]チオ]エチル]-2-ニトロ-1,1-エテンジアミン
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： C20H26N3[N+]O4[O-]S
Molecular formula furigana： C20-H26-N4-O5-S
Molecular weight： 434.510
InChI： InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3
InChI key： HXRSXEDVVARPHP-UHFFFAOYSA-N
SMILES： CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCc2ccc3OCOc3c2)o1
Systematic name  (3)：
  • N-(1,3-ベンゾジオキソール-5-イルメチル)-N′-[2-[[[5-[(ジメチルアミノ)メチル]-2-フラニル]メチル]チオ]エチル]-2-ニトロ-1,1-エテンジアミン
  • [(2H-1,3-ベンゾジオキソール-5-イル)メチル][1-({2-[({5-[(ジメチルアミノ)メチル]フラン-2-イル}メチル)スルファニル]エチル}アミノ)-2-ニトロエテニル]アミン
  • [(2H-1,3-benzodioxol-5-yl)methyl][1-({2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-2-nitroethenyl]amine
Other name (1)：
  • N-(1,3-Benzodioxol-5-ylmethyl)-N′-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine
CAS registry number： 84845-75-0
Regulation number (1)：
  • EINECS2843040
KEGG DRUG： D07072
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