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2-Bromo-N-(4-methyl-piperazine-1-carbothioyl)-benzamide
SpectraBase Compound ID 9kh6xEVzWkK
InChI InChI=1S/C13H16BrN3OS/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,18,19)
InChIKey TXAQZLQLRLERHS-UHFFFAOYSA-N
Mol Weight 342.26 g/mol
Molecular Formula C13H16BrN3OS
Exact Mass 341.019746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdimTWNa2qJ
Name 2-Bromo-N-(4-methyl-piperazine-1-carbothioyl)-benzamide
Alternate Name(s) 2-Bromanyl-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide 2-Bromo-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide 2-Bromo-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
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Formula C13H16BrN3OS
InChI InChI=1S/C13H16BrN3OS/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,18,19)
InChIKey TXAQZLQLRLERHS-UHFFFAOYSA-N
Molecular Weight 342.255 g/mol
SMILES N(C(N1CCN(CC1)C)=S)C(c1c(Br)cccc1)=O
SPLASH splash10-0759-9420000000-2908639b26456cf23e7e
Wiley ID 1462635