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N-(6-Bromobenzothiazolyl)-4-hydroxy-1-isopentyl-2(1H)-oxo-3-quinolinecarboxamide
SpectraBase Compound ID CzPVddjDmRx
InChI InChI=1S/C22H20BrN3O3S/c1-12(2)9-10-26-16-6-4-3-5-14(16)19(27)18(21(26)29)20(28)25-22-24-15-8-7-13(23)11-17(15)30-22/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,25,28)
InChIKey WVWHHRUAOWNRIQ-UHFFFAOYSA-N
Mol Weight 486.38 g/mol
Molecular Formula C22H20BrN3O3S
Exact Mass 485.040876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f6TfdNPuq
Name N-(6-Bromobenzothiazolyl)-4-hydroxy-1-isopentyl-2(1H)-oxo-3-quinolinecarboxamide
CAS Registry Number 300717-81-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20BrN3O3S
InChI InChI=1S/C22H20BrN3O3S/c1-12(2)9-10-26-16-6-4-3-5-14(16)19(27)18(21(26)29)20(28)25-22-24-15-8-7-13(23)11-17(15)30-22/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,25,28)
InChIKey WVWHHRUAOWNRIQ-UHFFFAOYSA-N
Molecular Weight 486.384 g/mol
SMILES OC=1c2c(N(C(C1C(Nc1nc3ccc(cc3s1)Br)=O)=O)CCC(C)C)cccc2
SPLASH splash10-0036-9650000000-b5515a111b06a726c136
Synonyms N-(6-Bromo-1,3-benzothiazol-2-yl)-4-hydroxy-1-isopentyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-1-(3-methylbutyl)-4-oxoquinoline-3-carboxamide N-(6-bromobenzothiazol-2-yl)[4-hydroxy-1-(3-methylbutyl)-2-oxo(3-hydroquinolyl )]carboxamide N-(6-bromo-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-3-quinolinecarboxamide N-(6-bromo-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl)-4-hydroxy-1-isopentyl-2-oxo-quinoline-3-carboxamide N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-(3-methylbutyl)-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl)-4-hydroxy-1-isoamyl-2-keto-quinoline-3-carboxamide
Wiley ID 1469453