(3E)-1-(4-morpholinylmethyl)-1H-indole-2,3-dione 3-[N-(2-methylphenyl)thiosemicarbazone]

SpectraBase Compound ID	JRis6dUt9N0
InChI	InChI=1S/C21H23N5O2S/c1-15-6-2-4-8-17(15)22-21(29)24-23-19-16-7-3-5-9-18(16)26(20(19)27)14-25-10-12-28-13-11-25/h2-9H,10-14H2,1H3,(H2,22,24,29)/b23-19+
InChIKey	DUJFHCHQTLEDAK-FCDQGJHFSA-N Google Search
Mol Weight	409.51 g/mol
Molecular Formula	C21H23N5O2S
Exact Mass	409.157246 g/mol

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SpectraBase Spectrum ID	3DQ9OtMnb7V
Name	(3E)-1-(4-Morpholinylmethyl)-1H-indole-2,3-dione 3-[N-(2-methylphenyl)thiosemicarbazone]
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	409.157246173 u
Formula	C21H23N5O2S
InChI	InChI=1S/C21H23N5O2S/c1-15-6-2-4-8-17(15)22-21(29)24-23-19-16-7-3-5-9-18(16)26(20(19)27)14-25-10-12-28-13-11-25/h2-9H,10-14H2,1H3,(H2,22,24,29)/b23-19+
InChIKey	DUJFHCHQTLEDAK-FCDQGJHFSA-N
Molecular Weight	409.508 g/mol
SMILES	N(C(N\N=C\1C(N(C2=C1C=CC=C2)CN1CCOCC1)=O)=S)C1=C(C)C=CC=C1