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4-bromo-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

View entire compound with spectra: 2 NMR

4-bromo-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
SpectraBase Compound ID AcRLWj4O7Ys
InChI InChI=1S/C18H17BrN2OS2/c1-2-3-10-23-18-21-15-9-8-14(11-16(15)24-18)20-17(22)12-4-6-13(19)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,20,22)
InChIKey SJCZTYMMKJKARE-UHFFFAOYSA-N
Mol Weight 421.37 g/mol
Molecular Formula C18H17BrN2OS2
Exact Mass 419.996569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nSYVTAuXCW
Name 4-Bromo-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 419.996568522 u
Formula C18H17BrN2OS2
InChI InChI=1S/C18H17BrN2OS2/c1-2-3-10-23-18-21-15-9-8-14(11-16(15)24-18)20-17(22)12-4-6-13(19)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,20,22)
InChIKey SJCZTYMMKJKARE-UHFFFAOYSA-N
Molecular Weight 421.371 g/mol
SMILES N(C(C=1C=CC(=CC1)Br)=O)C=1C=C2SC(=NC2=CC1)SCCCC