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1-[3-Methyl-2-(4-methylphenylsulfonamido)butanoyl]-4-(4-chlorophenyl)thiosemicarbazide
SpectraBase Compound ID GCVQiq5yDcq
InChI InChI=1S/C19H23ClN4O3S2/c1-12(2)17(24-29(26,27)16-10-4-13(3)5-11-16)18(25)22-23-19(28)21-15-8-6-14(20)7-9-15/h4-12,17,24H,1-3H3,(H,22,25)(H2,21,23,28)
InChIKey VTSJDRRXMPMGGW-UHFFFAOYSA-N
Mol Weight 454.99 g/mol
Molecular Formula C19H23ClN4O3S2
Exact Mass 454.090011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOVBLUzYmYW
Name 1-[3-Methyl-2-(4-methylphenylsulfonamido)butanoyl]-4-(4-chlorophenyl)thiosemicarbazide
Alternate Name(s) N-(4-chlorophenyl)-2-(tosylvalyl)hydrazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23ClN4O3S2
InChI InChI=1S/C19H23ClN4O3S2/c1-12(2)17(24-29(26,27)16-10-4-13(3)5-11-16)18(25)22-23-19(28)21-15-8-6-14(20)7-9-15/h4-12,17,24H,1-3H3,(H,22,25)(H2,21,23,28)
InChIKey VTSJDRRXMPMGGW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20282
Molecular Weight 454.991 g/mol
SMILES N(NC(=S)Nc1ccc(cc1)Cl)C(C(C(C)C)NS(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-0006-9820000000-0a35e82b76195232ab41
Source of Spectrum HAC-18-318-2a
Wiley ID 1783752