Chem
J-GLOBAL ID:201207004576028238   Nikkaji number:J3.059.866K

6-[4-[2-[(Benzylthio)(thiocarbonyl)]hydrazonomethyl]-3-hydroxyphenoxy]-2-butyl-2H-benzo[de]isoquinoline-1,3-dione

6-[4-[2-[(ベンジルチオ)(チオカルボニル)]ヒドラゾノメチル]-3-ヒドロキシフェノキシ]-2-ブチル-2H-ベンゾ[de]イソキノリン-1,3-ジオン
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: C31H27N3O4S2
Molecular formula furigana: C31-H27-N3-O4-S2
Molecular weight: 569.690
InChI: InChI=1S/C31H27N3O4S2/c1-2-3-16-34-29(36)24-11-7-10-23-27(15-14-25(28(23)24)30(34)37)38-22-13-12-21(26(35)17-22)18-32-33-31(39)40-19-20-8-5-4-6-9-20/h4-15,17-18,35H,2-3,16,19H2,1H3,(H,33,39)
InChI key: HJGJSUWOXLJWDG-UHFFFAOYSA-N
SMILES: CCCCn1c(=O)c2cccc3c(Oc4ccc(C=NNC(=S)SCc5ccccc5)c(O)c4)ccc(c1=O)c23
Systematic name  (3):
  • 6-[4-[2-[(ベンジルチオ)(チオカルボニル)]ヒドラゾノメチル]-3-ヒドロキシフェノキシ]-2-ブチル-2H-ベンゾ[de]イソキノリン-1,3-ジオン
  • 8-{4-[({[(ベンジルスルファニル)メタンチオイル]アミノ}イミノ)メチル]-3-ヒドロキシフェノキシ}-3-ブチル-3-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),5,7,9,11-ペンタエン-2,4-ジオン
  • 8-{4-[({[(benzylsulfanyl)methanethioyl]amino}imino)methyl]-3-hydroxyphenoxy}-3-butyl-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Other name (1):
  • 6-[4-[2-[(Benzylthio)(thiocarbonyl)]hydrazonomethyl]-3-hydroxyphenoxy]-2-butyl-2H-benzo[de]isoquinoline-1,3-dione
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