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1-[4-Methyl-2-(4-methylphenylsulfonamido)pentanoyl]-4-(4-chlorophenyl)thiosemicarbazide
SpectraBase Compound ID JDrFXVufvrV
InChI InChI=1S/C20H25ClN4O3S2/c1-13(2)12-18(25-30(27,28)17-10-4-14(3)5-11-17)19(26)23-24-20(29)22-16-8-6-15(21)7-9-16/h4-11,13,18,25H,12H2,1-3H3,(H,23,26)(H2,22,24,29)
InChIKey LLCHOZHPOXOGFJ-UHFFFAOYSA-N
Mol Weight 469.02 g/mol
Molecular Formula C20H25ClN4O3S2
Exact Mass 468.105661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVMT01XEipl
Name 1-[4-Methyl-2-(4-methylphenylsulfonamido)pentanoyl]-4-(4-chlorophenyl)thiosemicarbazide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25ClN4O3S2
InChI InChI=1S/C20H25ClN4O3S2/c1-13(2)12-18(25-30(27,28)17-10-4-14(3)5-11-17)19(26)23-24-20(29)22-16-8-6-15(21)7-9-16/h4-11,13,18,25H,12H2,1-3H3,(H,23,26)(H2,22,24,29)
InChIKey LLCHOZHPOXOGFJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20282
Molecular Weight 469.018 g/mol
SMILES N(NC(=S)Nc1ccc(cc1)Cl)C(C(CC(C)C)NS(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-00ku-9500000000-73968b5297f2f63f6cf5
Source of Spectrum HAC-18-318-2b
Synonyms N-(4-chlorophenyl)-2-(tosylleucyl)hydrazine-1-carbothioamide
Wiley ID 1783753