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[(Z)-{[2-(3-{2-[(Z)-[(carbamothioylamino)imino]methyl]phenoxy}-2-hydroxypropoxy)phenyl]methylidene}amino]thiourea
SpectraBase Compound ID Css9HyCL8fq
InChI InChI=1S/C19H22N6O3S2/c20-18(29)24-22-9-13-5-1-3-7-16(13)27-11-15(26)12-28-17-8-4-2-6-14(17)10-23-25-19(21)30/h1-10,15,26H,11-12H2,(H3,20,24,29)(H3,21,25,30)/b22-9-,23-10-
InChIKey UKFBPAMBVTYHBM-GIUJBALDSA-N
Mol Weight 446.54 g/mol
Molecular Formula C19H22N6O3S2
Exact Mass 446.119481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8khkxrje14
Name [(Z)-{[2-(3-{2-[(Z)-[(carbamothioylamino)imino]methyl]phenoxy}-2-hydroxypropoxy)phenyl]methylidene}amino]thiourea
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N6O3S2
InChI InChI=1S/C19H22N6O3S2/c20-18(29)24-22-9-13-5-1-3-7-16(13)27-11-15(26)12-28-17-8-4-2-6-14(17)10-23-25-19(21)30/h1-10,15,26H,11-12H2,(H3,20,24,29)(H3,21,25,30)/b22-9-,23-10-
InChIKey UKFBPAMBVTYHBM-GIUJBALDSA-N
Instrument Name GCMS-Q1000-EX Shimadzu & GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2021.103396
Molecular Weight 446.544 g/mol
SMILES N(\N=C/c1ccccc1OCC(COc1c(cccc1)\C=N/NC(=S)N)O)C(=S)N
SPLASH splash10-03k9-3347900000-a5d2edcc8c18953586ef
Source of Spectrum AJC-14-7-3
Wiley ID 1875232