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4-Bromanyl-N-[4-(2-methoxyphenyl)piperazin-1-yl]carbothioyl-benzamide
SpectraBase Compound ID BgwP80yjyXI
InChI InChI=1S/C19H20BrN3O2S/c1-25-17-5-3-2-4-16(17)22-10-12-23(13-11-22)19(26)21-18(24)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,24,26)
InChIKey AQUQDQAFBNDCBX-UHFFFAOYSA-N
Mol Weight 434.35 g/mol
Molecular Formula C19H20BrN3O2S
Exact Mass 433.045961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ET05690odq7
Name 4-Bromanyl-N-[4-(2-methoxyphenyl)piperazin-1-yl]carbothioyl-benzamide
Alternate Name(s) 4-Bromo-N-[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide 4-Bromo-N-{[4-(2-methoxyphenyl)-1-piperazinyl]carbothioyl}benzamide
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Formula C19H20BrN3O2S
InChI InChI=1S/C19H20BrN3O2S/c1-25-17-5-3-2-4-16(17)22-10-12-23(13-11-22)19(26)21-18(24)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,24,26)
InChIKey AQUQDQAFBNDCBX-UHFFFAOYSA-N
Molecular Weight 434.352 g/mol
SMILES N(C(N1CCN(CC1)c1c(OC)cccc1)=S)C(c1ccc(cc1)Br)=O
SPLASH splash10-0zj0-5900000000-37899ab7954e394d5184
Wiley ID 1461877