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Methyl N-(anilinocarbonyl)-N'-[(Z)-oxo(phenyl)methyl]imidothiocarbamate
SpectraBase Compound ID 5c6vLqdnFdG
InChI InChI=1S/C16H15N3O2S/c1-22-16(18-14(20)12-8-4-2-5-9-12)19-15(21)17-13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18,19,20,21)
InChIKey BWUAVWRDPGEGRH-UHFFFAOYSA-N
Mol Weight 313.38 g/mol
Molecular Formula C16H15N3O2S
Exact Mass 313.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92YHbDWSqmQ
Name Methyl N-(anilinocarbonyl)-N'-[(Z)-oxo(phenyl)methyl]imidothiocarbamate
CAS Registry Number 39536-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O2S
InChI InChI=1S/C16H15N3O2S/c1-22-16(18-14(20)12-8-4-2-5-9-12)19-15(21)17-13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18,19,20,21)
InChIKey BWUAVWRDPGEGRH-UHFFFAOYSA-N
Molecular Weight 313.375 g/mol
SMILES N(\C(=N\C(c1ccccc1)=O)SC)C(=O)Nc1ccccc1
SPLASH splash10-0kxr-9700000000-748e505acc1e21955efd
Source of Spectrum HE-1982-0-0
Synonyms Carbamimidothioic acid, N-benzoyl-N'-[(phenylamino)carbonyl]-, methyl ester Methyl N'-(phenylcarbamoyl)-N-(phenylcarbonyl)carbamimidothioate Methyl N-benzoyl-N'-(phenylcarbamoyl)carbamimidothioate N'-[anilino(oxo)methyl]-N-benzoylcarbamimidothioic acid methyl ester N-[(Z)-C-(methylthio)-N-(phenylcarbamoyl)carbonimidoyl]benzamide N-[(Z)-C-methylsulfanyl-N-(phenylcarbamoyl)carbonimidoyl]benzamide
Wiley ID 1314162