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N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide
SpectraBase Compound ID G9nJ3NkGkzp
InChI InChI=1S/C26H22BrN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
InChIKey REURRAKVOQGRRS-UHFFFAOYSA-N
Mol Weight 568.5 g/mol
Molecular Formula C26H22BrN3O3S2
Exact Mass 567.028597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qyDYcqxqC
Name N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide
Alternate Name(s) N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-morpholin-4-ylcarbonyl-benzamide N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-[4-morpholinyl(oxo)methyl]benzamide N-{2-[(4-bromobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(4-morpholinylcarbonyl)benzamide
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Formula C26H22BrN3O3S2
InChI InChI=1S/C26H22BrN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
InChIKey REURRAKVOQGRRS-UHFFFAOYSA-N
Molecular Weight 568.504 g/mol
SMILES N(C(c1c(C(N2CCOCC2)=O)cccc1)=O)c1cc2sc(nc2cc1)SCc1ccc(cc1)Br
SPLASH splash10-014i-3690000000-10dd995f15bcff7b62b7
Wiley ID 1437330