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1-[4-Methylthio-2-(4-methylbenzenesulfonamido)-butanoyl]-4-(4-chlorophenyl)thiosemicarbazide
SpectraBase Compound ID Lo20ueABMWm
InChI InChI=1S/C19H23ClN4O3S3/c1-13-3-9-16(10-4-13)30(26,27)24-17(11-12-29-2)18(25)22-23-19(28)21-15-7-5-14(20)6-8-15/h3-10,17,24H,11-12H2,1-2H3,(H,22,25)(H2,21,23,28)
InChIKey AQIBBZYGDZYBAE-UHFFFAOYSA-N
Mol Weight 487.05 g/mol
Molecular Formula C19H23ClN4O3S3
Exact Mass 486.062082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIuuZNPjn7O
Name 1-[4-Methylthio-2-(4-methylbenzenesulfonamido)-butanoyl]-4-(4-chlorophenyl)thiosemicarbazide
Alternate Name(s) N-(4-chlorophenyl)-2-(tosylmethionyl)hydrazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23ClN4O3S3
InChI InChI=1S/C19H23ClN4O3S3/c1-13-3-9-16(10-4-13)30(26,27)24-17(11-12-29-2)18(25)22-23-19(28)21-15-7-5-14(20)6-8-15/h3-10,17,24H,11-12H2,1-2H3,(H,22,25)(H2,21,23,28)
InChIKey AQIBBZYGDZYBAE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20282
Molecular Weight 487.051 g/mol
SMILES N(NC(=S)Nc1ccc(cc1)Cl)C(C(CCSC)NS(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-03xu-9400000000-597ec978e0d003ca370e
Source of Spectrum HAC-18-319-2e
Wiley ID 1783756