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1-[3-Hydroxy-2-(4-methylbenzenesulfonamido)-propanoyl]-4-(4-chlorophenyl)thiosemicarbazide
SpectraBase Compound ID FtpRJonKIIt
InChI InChI=1S/C17H19ClN4O4S2/c1-11-2-8-14(9-3-11)28(25,26)22-15(10-23)16(24)20-21-17(27)19-13-6-4-12(18)5-7-13/h2-9,15,22-23H,10H2,1H3,(H,20,24)(H2,19,21,27)
InChIKey DEOAUXQIKRCLOH-UHFFFAOYSA-N
Mol Weight 442.94 g/mol
Molecular Formula C17H19ClN4O4S2
Exact Mass 442.053625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77IwEhA0joK
Name 1-[3-Hydroxy-2-(4-methylbenzenesulfonamido)-propanoyl]-4-(4-chlorophenyl)thiosemicarbazide
Alternate Name(s) N-(4-chlorophenyl)-2-(tosylseryl)hydrazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN4O4S2
InChI InChI=1S/C17H19ClN4O4S2/c1-11-2-8-14(9-3-11)28(25,26)22-15(10-23)16(24)20-21-17(27)19-13-6-4-12(18)5-7-13/h2-9,15,22-23H,10H2,1H3,(H,20,24)(H2,19,21,27)
InChIKey DEOAUXQIKRCLOH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20282
Molecular Weight 442.936 g/mol
SMILES N(NC(=S)Nc1ccc(cc1)Cl)C(C(CO)NS(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-00kf-9710000000-de37dbd2e7b03c3c5a5a
Source of Spectrum HAC-18-319-2g
Wiley ID 1783758