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1-(4'-Methoxyphenyl)-6-phenyl-2-(benzylthio)-isothio-biurea

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1-(4'-Methoxyphenyl)-6-phenyl-2-(benzylthio)-isothio-biurea
SpectraBase Compound ID 24Pke584mhy
InChI InChI=1S/C22H22N4O2S/c1-28-20-14-12-19(13-15-20)24-22(29-16-17-8-4-2-5-9-17)26-25-21(27)23-18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,24,26)(H2,23,25,27)
InChIKey AZRAKNPQGLNXRE-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H22N4O2S
Exact Mass 406.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TbfM4azyM9
Name 1-(4'-Methoxyphenyl)-6-phenyl-2-(benzylthio)-isothio-biurea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.146347136 u
Formula C22H22N4O2S
InChI InChI=1S/C22H22N4O2S/c1-28-20-14-12-19(13-15-20)24-22(29-16-17-8-4-2-5-9-17)26-25-21(27)23-18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,24,26)(H2,23,25,27)
InChIKey AZRAKNPQGLNXRE-UHFFFAOYSA-N
Molecular Weight 406.504 g/mol
SMILES C(N\N=C\(NC1=CC=C(C=C1)OC)SCC1=CC=CC=C1)(NC=1C=CC=CC1)=O