Chem
J-GLOBAL ID：200907089663999290   Nikkaji number：J2.031.070G

4-[4-[[Methyl(tetrahydro-2H-pyran-4-yl)amino]methyl]anilinocarbonyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzothiepin 1,1-dioxide

4-[4-[[メチル(テトラヒドロ-2H-ピラン-4-イル)アミノ]メチル]アニリノカルボニル]-7-[4-(2-ブトキシエトキシ)フェニル]-2,3-ジヒドロ-1-ベンゾチエピン1,1-ジオキシド
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： C36H44N2O4[O-]2[S+2]
Molecular formula furigana： C36-H44-N2-O6-S
Molecular weight： 632.820
InChI： InChI=1S/C36H44N2O6S/c1-3-4-18-42-21-22-44-34-12-7-28(8-13-34)29-9-14-35-31(24-29)25-30(17-23-45(35,40)41)36(39)37-32-10-5-27(6-11-32)26-38(2)33-15-19-43-20-16-33/h5-14,24-25,33H,3-4,15-23,26H2,1-2H3,(H,37,39)
InChI key： NGTYGRWMUBDBIP-UHFFFAOYSA-N
SMILES： CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CC[S+2]2([O-])[O-])C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1
Systematic name  (3)：
  • 4-[4-[[メチル(テトラヒドロ-2H-ピラン-4-イル)アミノ]メチル]アニリノカルボニル]-7-[4-(2-ブトキシエトキシ)フェニル]-2,3-ジヒドロ-1-ベンゾチエピン1,1-ジオキシド
  • 7-[4-(2-ブトキシエトキシ)フェニル]-4-[(4-{[メチル(オキサン-4-イル)アミノ]メチル}フェニル)カルバモイル]-2,3-ジヒドロ-1H-1-ベンゾチエピン-1,1-ジイウム-1,1-ビス(オラート)
  • 7-[4-(2-butoxyethoxy)phenyl]-4-[(4-{[methyl(oxan-4-yl)amino]methyl}phenyl)carbamoyl]-2,3-dihydro-1H-1-benzothiepine-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 4-[4-[[Methyl(tetrahydro-2H-pyran-4-yl)amino]methyl]anilinocarbonyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzothiepin 1,1-dioxide
Thsaurus map：
Thesaurus Map

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