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R,S-5-ACETYLAMINO-3-(4-METHOXYPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID 2odtlNKW0UG
InChI InChI=1S/C14H16N2O3S2/c1-9(17)15-12-7-8-21-14(20)16(13(12)18)10-3-5-11(19-2)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,17)
InChIKey AUOXGZDOUTUWMQ-UHFFFAOYSA-N
Mol Weight 324.41 g/mol
Molecular Formula C14H16N2O3S2
Exact Mass 324.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11I47q1lBMd
Name 5-(Acetylamino)-3-(4'-methoxyphenyl)-2-thioxo-1,300thiazepan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3S2
InChI InChI=1S/C14H16N2O3S2/c1-9(17)15-12-7-8-21-14(20)16(13(12)18)10-3-5-11(19-2)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,17)
InChIKey AUOXGZDOUTUWMQ-UHFFFAOYSA-N
Molecular Weight 324.413 g/mol
SMILES N(C1C(N(C(SCC1)=S)c1ccc(cc1)OC)=O)C(=O)C
SPLASH splash10-0080-0095000000-db684f92b722f3f9b540
Source of Spectrum Y-36-1173-6
Synonyms N-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazepan-5-yl]acetamide N-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazepan-5-yl]acetamide N-[3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazepan-5-yl]ethanamide
Wiley ID 762436