Chem
J-GLOBAL ID：200907033549085950   Nikkaji number：J1.954.846E

N-Ethyl-N-[6-(diethylamino)-9-[2-[4-[(acetylthio)acetyl]piperazinocarbonyl]phenyl]-3H-xanthene-3-ylidene]ethanaminium

N-エチル-N-[6-(ジエチルアミノ)-9-[2-[4-[(アセチルチオ)アセチル]ピペラジノカルボニル]フェニル]-3H-キサンテン-3-イリデン]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： C36H43N3[N+]O4S
Molecular formula furigana： C36-H43-N4-O4-S
Molecular weight： 627.820
InChI： InChI=1S/C36H43N4O4S/c1-6-37(7-2)26-14-16-30-32(22-26)44-33-23-27(38(8-3)9-4)15-17-31(33)35(30)28-12-10-11-13-29(28)36(43)40-20-18-39(19-21-40)34(42)24-45-25(5)41/h10-17,22-23H,6-9,18-21,24H2,1-5H3/q+1
InChI key： BKZYPCJUCZNBNL-UHFFFAOYSA-N
SMILES： CCN(CC)c1ccc2c(c3ccccc3C(=O)N3CCN(CC3)C(=O)CSC(=O)C)c3ccc(=[N+](CC)CC)cc3oc2c1
Systematic name  (3)：
  • N-エチル-N-[6-(ジエチルアミノ)-9-[2-[4-[(アセチルチオ)アセチル]ピペラジノカルボニル]フェニル]-3H-キサンテン-3-イリデン]エタンアミニウム
  • 9-(2-{4-[2-(アセチルスルファニル)アセチル]ピペラジン-1-カルボニル}フェニル)-6-(ジエチルアミノ)-N,N-ジエチル-3H-キサンテン-3-イミニウム
  • 9-(2-{4-[2-(acetylsulfanyl)acetyl]piperazine-1-carbonyl}phenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium
Other name (1)：
  • N-Ethyl-N-[6-(diethylamino)-9-[2-[4-[(acetylthio)acetyl]piperazinocarbonyl]phenyl]-3H-xanthene-3-ylidene]ethanaminium
Thsaurus map：
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