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1-[3-Hydroxy-2-(4-methylbenzenesulfonamido)butanoyl]-4-(4-chlorophenyl)thiosemicarbazide
SpectraBase Compound ID 5MNyChWE3d
InChI InChI=1S/C18H21ClN4O4S2/c1-11-3-9-15(10-4-11)29(26,27)23-16(12(2)24)17(25)21-22-18(28)20-14-7-5-13(19)6-8-14/h3-10,12,16,23-24H,1-2H3,(H,21,25)(H2,20,22,28)
InChIKey FWSWCYUPOXZBNR-UHFFFAOYSA-N
Mol Weight 456.96 g/mol
Molecular Formula C18H21ClN4O4S2
Exact Mass 456.069275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jrYFb9bX53
Name 1-[3-Hydroxy-2-(4-methylbenzenesulfonamido)butanoyl]-4-(4-chlorophenyl)thiosemicarbazide
Alternate Name(s) N-(4-chlorophenyl)-2-(tosylthreonyl)hydrazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN4O4S2
InChI InChI=1S/C18H21ClN4O4S2/c1-11-3-9-15(10-4-11)29(26,27)23-16(12(2)24)17(25)21-22-18(28)20-14-7-5-13(19)6-8-14/h3-10,12,16,23-24H,1-2H3,(H,21,25)(H2,20,22,28)
InChIKey FWSWCYUPOXZBNR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20282
Molecular Weight 456.963 g/mol
SMILES N(NC(=S)Nc1ccc(cc1)Cl)C(C(C(C)O)NS(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-00ku-9500000000-5fc3c09f68ed3fadc28a
Source of Spectrum HAC-18-319-2d
Wiley ID 1783755