Chem
J-GLOBAL ID：200907003034804906   Nikkaji number：J324.220J

N,N-Diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]ethanaminium

N,N-ジエチル-N-メチル-2-[[4-[4-(フェニルチオ)フェニル]-3H-1,5-ベンゾジアゼピン-2-イル]チオ]エタンアミニウム
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： C28H32N2[N+]S2
Molecular formula furigana： C28-H32-N3-S2
Molecular weight： 474.700
InChI： InChI=1S/C28H32N3S2/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23/h6-18H,4-5,19-21H2,1-3H3/q+1
InChI key： MAJFXTGRPADJLU-UHFFFAOYSA-N
SMILES： CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(C1)c1ccc(Sc2ccccc2)cc1
Systematic name  (3)：
  • N,N-ジエチル-N-メチル-2-[[4-[4-(フェニルチオ)フェニル]-3H-1,5-ベンゾジアゼピン-2-イル]チオ]エタンアミニウム
  • ジエチル(メチル)[2-({4-[4-(フェニルスルファニル)フェニル]-3H-1,5-ベンゾジアゼピン-2-イル}スルファニル)エチル]アザニウム
  • diethyl(methyl)[2-({4-[4-(phenylsulfanyl)phenyl]-3H-1,5-benzodiazepin-2-yl}sulfanyl)ethyl]azanium
Other name (1)：
  • N,N-Diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]ethanaminium
Thsaurus map：
Thesaurus Map

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