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4-Morpholinecarbothioamide,N-[A-[N-(2-methoxy-2-oxoethyl)methylamino]-4-chlorobenzylidene]-
SpectraBase Compound ID GrvV5g4PkCP
InChI InChI=1S/C16H20ClN3O3S/c1-19(11-14(21)22-2)15(12-3-5-13(17)6-4-12)18-16(24)20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3/b18-15-
InChIKey DNGRYSYFAVNALN-SDXDJHTJSA-N
Mol Weight 369.87 g/mol
Molecular Formula C16H20ClN3O3S
Exact Mass 369.09139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bFJ8EXhCuV
Name 4-Morpholinecarbothioamide,N-[A-[N-(2-methoxy-2-oxoethyl)methylamino]-4-chlorobenzylidene]-
Comments Computed using HOSE algorithm
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Exact Mass 369.091390387 u
Formula C16H20ClN3O3S
InChI InChI=1S/C16H20ClN3O3S/c1-19(11-14(21)22-2)15(12-3-5-13(17)6-4-12)18-16(24)20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3/b18-15-
InChIKey DNGRYSYFAVNALN-SDXDJHTJSA-N
Molecular Weight 369.867 g/mol
SMILES CN(\C(C1=CC=C(C=C1)Cl)=N\C(N1CCOCC1)=S)CC(OC)=O