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N-(4-{[2-chloro-5-(methylsulfanyl)benzoyl]amino}phenyl)-1-adamantanecarboxamide
SpectraBase Compound ID DBNzuh1kI8u
InChI InChI=1S/C25H27ClN2O2S/c1-31-20-6-7-22(26)21(11-20)23(29)27-18-2-4-19(5-3-18)28-24(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,27,29)(H,28,30)/t15-,16+,17-,25-
InChIKey YRSXNWXVRBNJTQ-CIRRPZLZSA-N
Mol Weight 455.02 g/mol
Molecular Formula C25H27ClN2O2S
Exact Mass 454.148177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLmwbMmnyWs
Name N-(4-{[2-chloro-5-(methylsulfanyl)benzoyl]amino}phenyl)-1-adamantanecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27ClN2O2S
InChI InChI=1S/C25H27ClN2O2S/c1-31-20-6-7-22(26)21(11-20)23(29)27-18-2-4-19(5-3-18)28-24(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,27,29)(H,28,30)/t15-,16+,17-,25-
InChIKey YRSXNWXVRBNJTQ-CIRRPZLZSA-N
Molecular Weight 455.016 g/mol
SMILES N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)c1ccc(NC(c2c(ccc(c2)SC)Cl)=O)cc1
SPLASH splash10-000i-3900300000-1eee81a67a699cce0a6a
Synonyms N-[4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]phenyl]adamantane-1-carboxamide N-[4-[(2-chloro-5-methylsulfanyl-benzoyl)amino]phenyl]adamantane-1-carboxamide N-[4-[[2-chloro-5-(methylthio)benzoyl]amino]phenyl]adamantane-1-carboxamide N-[4-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]phenyl]-1-adamantanecarboxamide
Wiley ID 1437350