Chem
J-GLOBAL ID：201307083562667666   Nikkaji number：J3.178.167A

WEHI-539

2-[8-[2-(ベンゾチアゾール-2-イル)ヒドラゾノ]-5,6,7,8-テトラヒドロナフタレン-2-イル]-5-[3-[4-(アミノメチル)フェノキシ]プロピル]チアゾール-4-カルボン酸
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： C31H29N5O3S2
Molecular formula furigana： C31-H29-N5-O3-S2
Molecular weight： 583.730
InChI： InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)
InChI key： JKMWZKPAXZBYEH-UHFFFAOYSA-N
SMILES： NCc1ccc(OCCCc2sc(nc2C(=O)O)c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1
Systematic name  (3)：
  • 2-[8-[2-(ベンゾチアゾール-2-イル)ヒドラゾノ]-5,6,7,8-テトラヒドロナフタレン-2-イル]-5-[3-[4-(アミノメチル)フェノキシ]プロピル]チアゾール-4-カルボン酸
  • 5-{3-[4-(アミノメチル)フェノキシ]プロピル}-2-{8-[2-(1,3-ベンゾチアゾール-2-イル)ヒドラジン-1-イリデン]-5,6,7,8-テトラヒドロナフタレン-2-イル}-1,3-チアゾール-4-カルボン酸
  • 5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{8-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid
Other name (2)：
  • 2-[8-[2-(Benzothiazole-2-yl)hydrazono]-5,6,7,8-tetrahydronaphthalene-2-yl]-5-[3-[4-(aminomethyl)phenoxy]propyl]thiazole-4-carboxylic acid
  • WEHI-539
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