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1-(p-Tolyl)-6-phenyl-2-(benzylthio)-isothio-biurea

View entire compound with spectra: 1 MS (GC)

1-(p-Tolyl)-6-phenyl-2-(benzylthio)-isothio-biurea
SpectraBase Compound ID FSywKlWzt5o
InChI InChI=1S/C22H22N4OS/c1-17-12-14-20(15-13-17)24-22(28-16-18-8-4-2-5-9-18)26-25-21(27)23-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,24,26)(H2,23,25,27)
InChIKey BGQZIBGWFYOIOD-UHFFFAOYSA-N
Mol Weight 390.51 g/mol
Molecular Formula C22H22N4OS
Exact Mass 390.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uut7bG7rng
Name 1-(p-Tolyl)-6-phenyl-2-(benzylthio)-isothio-biurea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4OS
InChI InChI=1S/C22H22N4OS/c1-17-12-14-20(15-13-17)24-22(28-16-18-8-4-2-5-9-18)26-25-21(27)23-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,24,26)(H2,23,25,27)
InChIKey BGQZIBGWFYOIOD-UHFFFAOYSA-N
Molecular Weight 390.505 g/mol
SMILES N(C(Nc1ccccc1)=O)\N=C\(Nc1ccc(cc1)C)SCc1ccccc1
SPLASH splash10-0006-9100000000-342f0839aef93607967e
Source of Spectrum SK-31-1604-2
Wiley ID 881983