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1-[3-Mercapto-2-(4-methylbenzenesulfonamido)-propanoyl]-4-(4-chlorophenyl)thiosemicarbazide
SpectraBase Compound ID CQlrXoArHbF
InChI InChI=1S/C17H19ClN4O3S3/c1-11-2-8-14(9-3-11)28(24,25)22-15(10-26)16(23)20-21-17(27)19-13-6-4-12(18)5-7-13/h2-9,15,22,26H,10H2,1H3,(H,20,23)(H2,19,21,27)
InChIKey MMPLJFBMHVWNDS-UHFFFAOYSA-N
Mol Weight 459.0 g/mol
Molecular Formula C17H19ClN4O3S3
Exact Mass 458.030782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78A6WuUyYLx
Name 1-[3-Mercapto-2-(4-methylbenzenesulfonamido)-propanoyl]-4-(4-chlorophenyl)thiosemicarbazide
Alternate Name(s) N-(4-chlorophenyl)-2-(tosylcysteinyl)hydrazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN4O3S3
InChI InChI=1S/C17H19ClN4O3S3/c1-11-2-8-14(9-3-11)28(24,25)22-15(10-26)16(23)20-21-17(27)19-13-6-4-12(18)5-7-13/h2-9,15,22,26H,10H2,1H3,(H,20,23)(H2,19,21,27)
InChIKey MMPLJFBMHVWNDS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20282
Molecular Weight 458.997 g/mol
SMILES N(NC(=S)Nc1ccc(cc1)Cl)C(C(CS)NS(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-0006-9300000000-4a3cf4267a8a0bcbdb8b
Source of Spectrum HAC-18-319-2f
Wiley ID 1783757