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2-chloro-N-(5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
SpectraBase Compound ID 5Xx9rbDTJU3
InChI InChI=1S/C15H15ClN4O3S2/c16-11-4-2-1-3-10(11)13(22)17-14-18-19-15(25-14)24-9-12(21)20-5-7-23-8-6-20/h1-4H,5-9H2,(H,17,18,22)
InChIKey LMGLLFYWYHDMSE-UHFFFAOYSA-N
Mol Weight 398.88 g/mol
Molecular Formula C15H15ClN4O3S2
Exact Mass 398.02741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFs8N1HqE6w
Name 2-Chloro-N-(5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 398.027410404 u
Formula C15H15ClN4O3S2
InChI InChI=1S/C15H15ClN4O3S2/c16-11-4-2-1-3-10(11)13(22)17-14-18-19-15(25-14)24-9-12(21)20-5-7-23-8-6-20/h1-4H,5-9H2,(H,17,18,22)
InChIKey LMGLLFYWYHDMSE-UHFFFAOYSA-N
Molecular Weight 398.883 g/mol
SMILES N(C(C1=C(Cl)C=CC=C1)=O)C=1SC(SCC(N2CCOCC2)=O)=NN1