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3-(Diethylamino)-2,3-dioxo-1-phenylpropyl N,N'-diphenylimidothiocarbamate
SpectraBase Compound ID BpEYu31pMxG
InChI InChI=1S/C26H27N3O2S/c1-3-29(4-2)25(31)23(30)24(20-14-8-5-9-15-20)32-26(27-21-16-10-6-11-17-21)28-22-18-12-7-13-19-22/h5-19,24H,3-4H2,1-2H3,(H,27,28)
InChIKey KVAHJXYMBKRQHL-UHFFFAOYSA-N
Mol Weight 445.58 g/mol
Molecular Formula C26H27N3O2S
Exact Mass 445.182398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx7yTpJtsB1
Name 3-(Diethylamino)-2,3-dioxo-1-phenylpropyl N,N'-diphenylimidothiocarbamate
CAS Registry Number 329907-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N3O2S
InChI InChI=1S/C26H27N3O2S/c1-3-29(4-2)25(31)23(30)24(20-14-8-5-9-15-20)32-26(27-21-16-10-6-11-17-21)28-22-18-12-7-13-19-22/h5-19,24H,3-4H2,1-2H3,(H,27,28)
InChIKey KVAHJXYMBKRQHL-UHFFFAOYSA-N
Molecular Weight 445.581 g/mol
SMILES N(\C(SC(c1ccccc1)C(=O)C(=O)N(CC)CC)=N/c1ccccc1)c1ccccc1
SPLASH splash10-0uml-9300000000-b9d6b546bc3ce84b72e6
Synonyms 3-(N,N'-diphenylcarbamimidoyl)sulfanyl-N,N-diethyl-2-oxo-3-phenyl-propanamide 3-[(N,N'-diphenylamidino)thio]-N,N-diethyl-2-keto-3-phenyl-propionamide N,N-Diethyl-3-(N,N'-diphenylamidinothio)-3-phenylpyruvamide N,N'-diphenylcarbamimidothioic acid [3-(diethylamino)-2,3-dioxo-1-phenylpropyl] ester [3-(diethylamino)-2,3-dioxo-1-phenylpropyl] N,N'-diphenylcarbamimidothioate
Wiley ID 1470477