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1-(1-Benzyl-3-butyl-5-oxo-2-thioxoimidazolidin-4-yl)ethan-1-oneSemicarbazone
SpectraBase Compound ID Ee8qX9n0uEk
InChI InChI=1S/C17H23N5O2S/c1-3-4-10-21-14(12(2)19-20-16(18)24)15(23)22(17(21)25)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3,(H3,18,20,24)/b19-12+
InChIKey BBECHZYWHZBRJX-XDHOZWIPSA-N
Mol Weight 361.46 g/mol
Molecular Formula C17H23N5O2S
Exact Mass 361.157246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMOpv7zm4H
Name 1-(1-Benzyl-3-butyl-5-oxo-2-thioxoimidazolidin-4-yl)ethan-1-oneSemicarbazone
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Formula C17H23N5O2S
InChI InChI=1S/C17H23N5O2S/c1-3-4-10-21-14(12(2)19-20-16(18)24)15(23)22(17(21)25)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3,(H3,18,20,24)/b19-12+
InChIKey BBECHZYWHZBRJX-XDHOZWIPSA-N
Literature Reference DOI 10.1021/jo2021949
Molecular Weight 361.464 g/mol
SMILES N(\N=C/(C)C1N(CCCC)C(=S)N(Cc2ccccc2)C1=O)C(N)=O
SPLASH splash10-0w29-0915000000-d6531cc79fd305d760e9
Source of Spectrum J-77-1165-4i
Synonyms (E)-2-(1-(1-benzyl-3-butyl-5-oxo-2-thioxoimidazolidin-4-yl)ethylidene)hydrazinecarboxamide [(E)-1-[3-butyl-5-oxo-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]ethylideneamino]urea [(E)-1-(1-benzyl-3-butyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)ethylideneamino]urea [(E)-1-(1-benzyl-3-butyl-5-oxo-2-thioxo-imidazolidin-4-yl)ethylideneamino]urea 1-[(E)-1-[3-butyl-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethylideneamino]urea
Wiley ID 1744958