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Carbamimidothioic acid, N-[(benzoylamino)carbonyl]-N'-phenyl-, methyl ester
SpectraBase Compound ID DAzAw1X23oN
InChI InChI=1S/C16H15N3O2S/c1-22-16(17-13-10-6-3-7-11-13)19-15(21)18-14(20)12-8-4-2-5-9-12/h2-11H,1H3,(H2,17,18,19,20,21)
InChIKey KOAQBJYTKNUYPU-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 JTMzKJO0Ffl
Name Carbamimidothioic acid, N-[(benzoylamino)carbonyl]-N'-phenyl-, methyl ester
CAS Registry Number 79340-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O2S
InChI InChI=1S/C16H15N3O2S/c1-22-16(17-13-10-6-3-7-11-13)19-15(21)18-14(20)12-8-4-2-5-9-12/h2-11H,1H3,(H2,17,18,19,20,21)
InChIKey KOAQBJYTKNUYPU-UHFFFAOYSA-N
Molecular Weight 313.375 g/mol
SMILES N(C(\N=C\(Nc1ccccc1)SC)=O)C(=O)c1ccccc1
SPLASH splash10-0kxr-9700000000-748e505acc1e21955efd
Synonyms Methyl N'-[(benzoylamino)(oxo)methyl]-N-phenylimidothiocarbamate Methyl N'-[(Z)-(benzoylamino)(oxo)methyl]-N-phenylimidothiocarbamate
Wiley ID 1505134