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(N'-anilino-N-phenylimino-carbamimidoyl) N-(4-methoxyanilino)-2-oxo-propanimidothioate
SpectraBase Compound ID PQvY74EnsV
InChI InChI=1S/C23H22N6O2S/c1-17(30)22(27-24-20-13-15-21(31-2)16-14-20)32-23(28-25-18-9-5-3-6-10-18)29-26-19-11-7-4-8-12-19/h3-16,24-25H,1-2H3
InChIKey PCNPFUDDUZJWTM-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C23H22N6O2S
Exact Mass 446.152495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjLCDDM2ew7
Name (N'-anilino-N-phenylimino-carbamimidoyl) N-(4-methoxyanilino)-2-oxo-propanimidothioate
Appearance Dark Yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N6O2S
InChI InChI=1S/C23H22N6O2S/c1-17(30)22(27-24-20-13-15-21(31-2)16-14-20)32-23(28-25-18-9-5-3-6-10-18)29-26-19-11-7-4-8-12-19/h3-16,24-25H,1-2H3
InChIKey PCNPFUDDUZJWTM-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5886
Molecular Weight 446.529 g/mol
SMILES N(N=C(SC(=NNc1ccc(OC)cc1)C(C)=O)N=Nc1ccccc1)c1ccccc1
SPLASH splash10-016u-9705400000-e72f86d9ee5d1f090ed9
Source of Spectrum AOC-34-7-3a
Wiley ID 1855710