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N-(6-Bromo-2-benzothiazolyl)-1-butyl-4-hydroxy-2(1H)-oxo-3-quinolinecarboxamide
SpectraBase Compound ID C39hGaHdRHg
InChI InChI=1S/C21H18BrN3O3S/c1-2-3-10-25-15-7-5-4-6-13(15)18(26)17(20(25)28)19(27)24-21-23-14-9-8-12(22)11-16(14)29-21/h4-9,11,26H,2-3,10H2,1H3,(H,23,24,27)
InChIKey SZLNHQGJWKELDB-UHFFFAOYSA-N
Mol Weight 472.36 g/mol
Molecular Formula C21H18BrN3O3S
Exact Mass 471.025226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41nMBw3TpRr
Name N-(6-Bromo-2-benzothiazolyl)-1-butyl-4-hydroxy-2(1H)-oxo-3-quinolinecarboxamide
CAS Registry Number 303100-98-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrN3O3S
InChI InChI=1S/C21H18BrN3O3S/c1-2-3-10-25-15-7-5-4-6-13(15)18(26)17(20(25)28)19(27)24-21-23-14-9-8-12(22)11-16(14)29-21/h4-9,11,26H,2-3,10H2,1H3,(H,23,24,27)
InChIKey SZLNHQGJWKELDB-UHFFFAOYSA-N
Molecular Weight 472.357 g/mol
SMILES N(C(C=1C(N(c2ccccc2C1O)CCCC)=O)=O)c1sc2cc(ccc2n1)Br
SPLASH splash10-005c-9550000000-247a1c9b11a7d1154409
Synonyms N-(6-Bromo-1,3-benzothiazol-2-yl)-1-butyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide N-(6-bromo-1,3-benzothiazol-2-yl)-1-butyl-2-hydroxy-4-oxoquinoline-3-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl)-1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Wiley ID 1469254