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2-(Benzoxazol-2-ylthio)-N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)-phenyl)acetamide
SpectraBase Compound ID L4fzonnLjRD
InChI InChI=1S/C22H24N4O5S2/c27-20(14-32-22-25-18-8-4-5-9-19(18)31-22)23-16-10-12-17(13-11-16)33(29,30)26-21(28)24-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,27)(H2,24,26,28)
InChIKey LRTUIEAROHKQLL-UHFFFAOYSA-N
Mol Weight 488.58 g/mol
Molecular Formula C22H24N4O5S2
Exact Mass 488.118812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WK0fPXBIe9
Name 2-(Benzoxazol-2-ylthio)-N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)-phenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N4O5S2
InChI InChI=1S/C22H24N4O5S2/c27-20(14-32-22-25-18-8-4-5-9-19(18)31-22)23-16-10-12-17(13-11-16)33(29,30)26-21(28)24-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,27)(H2,24,26,28)
InChIKey LRTUIEAROHKQLL-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900113
Molecular Weight 488.577 g/mol
SMILES N(C(CSc1oc2c(cccc2)n1)=O)c1ccc(S(NC(NC2CCCCC2)=O)(=O)=O)cc1
SPLASH splash10-0a4i-0009000000-82d41fe4282d5d045c5b
Source of Spectrum APC-352-13-5a
Wiley ID 1839615