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1-(3-Allyl-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)ethan-1-one Semicarbazone
SpectraBase Compound ID NPJQKmPfLD
InChI InChI=1S/C16H19N5O2S/c1-3-9-20-13(11(2)18-19-15(17)23)14(22)21(16(20)24)10-12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3,(H3,17,19,23)/b18-11+
InChIKey KHIMFFMBVOFGTH-WOJGMQOQSA-N
Mol Weight 345.42 g/mol
Molecular Formula C16H19N5O2S
Exact Mass 345.125946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAgkxpRiHPD
Name 1-(3-Allyl-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)ethan-1-one Semicarbazone
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Formula C16H19N5O2S
InChI InChI=1S/C16H19N5O2S/c1-3-9-20-13(11(2)18-19-15(17)23)14(22)21(16(20)24)10-12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3,(H3,17,19,23)/b18-11+
InChIKey KHIMFFMBVOFGTH-WOJGMQOQSA-N
Literature Reference DOI 10.1021/jo2021949
Molecular Weight 345.421 g/mol
SMILES N(\N=C/(C)C1N(CC=C)C(=S)N(Cc2ccccc2)C1=O)C(=O)N
SPLASH splash10-0zfr-0941000000-57d9796135361b05169b
Source of Spectrum J-77-1165-4k
Synonyms (E)-2-(1-(3-allyl-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)ethylidene)hydrazinecarboxamide [(E)-1-[5-oxo-1-(phenylmethyl)-3-prop-2-enyl-2-sulfanylidene-4-imidazolidinyl]ethylideneamino]urea [(E)-1-(1-benzyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)ethylideneamino]urea [(E)-1-(3-allyl-1-benzyl-5-oxo-2-thioxo-imidazolidin-4-yl)ethylideneamino]urea 1-[(E)-1-[5-oxidanylidene-1-(phenylmethyl)-3-prop-2-enyl-2-sulfanylidene-imidazolidin-4-yl]ethylideneamino]urea
Wiley ID 1744960