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3-[(3-keto-1-phenyl-butyl)amino]-2-thioxo-1H-quinazolin-4-one
SpectraBase Compound ID IoLEZhgvWHe
InChI InChI=1S/C18H17N3O2S/c1-12(22)11-16(13-7-3-2-4-8-13)20-21-17(23)14-9-5-6-10-15(14)19-18(21)24/h2-10,16,20H,11H2,1H3,(H,19,24)
InChIKey RFRQDKQSZZJITN-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C18H17N3O2S
Exact Mass 339.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DihrljXWsuJ
Name 3-[(3-keto-1-phenyl-butyl)amino]-2-thioxo-1H-quinazolin-4-one
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Formula C18H17N3O2S
InChI InChI=1S/C18H17N3O2S/c1-12(22)11-16(13-7-3-2-4-8-13)20-21-17(23)14-9-5-6-10-15(14)19-18(21)24/h2-10,16,20H,11H2,1H3,(H,19,24)
InChIKey RFRQDKQSZZJITN-UHFFFAOYSA-N
Molecular Weight 339.413 g/mol
SMILES N1c2c(C(N(C1=S)NC(CC(=O)C)c1ccccc1)=O)cccc2
SPLASH splash10-0006-3903000000-a15fbf19e617036dfc72
Source of Spectrum D8-330-404-16
Synonyms 4-Phenyl-4[2(1H)-thioxo-4(1H)-oxo-quinazolin-amino]-butan-2-one 3-[(3-oxidanylidene-1-phenyl-butyl)amino]-2-sulfanylidene-1H-quinazolin-4-one 3-[(3-oxo-1-phenyl-butyl)amino]-2-thioxo-1H-quinazolin-4-one 3-[(3-oxo-1-phenylbutyl)amino]-2-sulfanylidene-1H-quinazolin-4-one 3-((3-oxo-1-phenylbutyl)amino)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Wiley ID 1516511