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R,S-5-ACETYLAMINO-3-PHENYL-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID LCZLu5zG1Nr
InChI InChI=1S/C13H14N2O2S2/c1-9(16)14-11-7-8-19-13(18)15(12(11)17)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,16)
InChIKey GZQQQNFNECKKOL-UHFFFAOYSA-N
Mol Weight 294.39 g/mol
Molecular Formula C13H14N2O2S2
Exact Mass 294.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUuSIR2j2ID
Name 5-(Acetylamino)-3-phenyl-2-thioxo-1,3-thiazepan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2S2
InChI InChI=1S/C13H14N2O2S2/c1-9(16)14-11-7-8-19-13(18)15(12(11)17)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,16)
InChIKey GZQQQNFNECKKOL-UHFFFAOYSA-N
Molecular Weight 294.387 g/mol
SMILES N(C1C(N(C(SCC1)=S)c1ccccc1)=O)C(=O)C
SPLASH splash10-0aba-9230000000-ad49939e6426d111acd8
Source of Spectrum Y-36-1173-6
Synonyms 5-(Acetylamino)-3-phenyl-2-thioxo-1,300thiazepan-4-one N-(4-oxo-3-phenyl-2-thioxohexahydro-1,3-thiazepin-5-yl)acetamide N-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazepan-5-yl)acetamide N-(4-oxo-3-phenyl-2-thioxo-1,3-thiazepan-5-yl)acetamide N-(4-oxidanylidene-3-phenyl-2-sulfanylidene-1,3-thiazepan-5-yl)ethanamide
Wiley ID 762437