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1-piperazinecarbothioamide, N-[4-(aminosulfonyl)phenyl]-4-[2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-
SpectraBase Compound ID DSwBTZ8YpqK
InChI InChI=1S/C26H32FN7O3S2/c1-2-3-24-23(25(35)34(31-24)21-8-4-19(27)5-9-21)18-29-12-13-32-14-16-33(17-15-32)26(38)30-20-6-10-22(11-7-20)39(28,36)37/h4-11,18,29H,2-3,12-17H2,1H3,(H,30,38)(H2,28,36,37)/b23-18-
InChIKey ADSVAPJSHCYCTI-NKFKGCMQSA-N
Mol Weight 573.7 g/mol
Molecular Formula C26H32FN7O3S2
Exact Mass 573.199208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4M81lJyh1sy
Name 4-[2-[[(Z)-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methyl]amino]ethyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32FN7O3S2
InChI InChI=1S/C26H32FN7O3S2/c1-2-3-24-23(25(35)34(31-24)21-8-4-19(27)5-9-21)18-29-12-13-32-14-16-33(17-15-32)26(38)30-20-6-10-22(11-7-20)39(28,36)37/h4-11,18,29H,2-3,12-17H2,1H3,(H,30,38)(H2,28,36,37)/b23-18-
InChIKey ADSVAPJSHCYCTI-NKFKGCMQSA-N
Molecular Weight 573.706 g/mol
SMILES N(\C=C/1C(N(N=C1CCC)c1ccc(cc1)F)=O)CCN1CCN(C(Nc2ccc(S(=O)(=O)N)cc2)=S)CC1
SPLASH splash10-01ot-9530000000-70674fea2942814223d2
Synonyms 4-[2-[[(Z)-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methyl]amino]ethyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide 4-[2-[[(Z)-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methyl]amino]ethyl]-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide 4-[2-[[(Z)-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methyl]amino]ethyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Wiley ID 1463488