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3-thiazolidineacetamide, 5-[(3-chlorophenyl)methylene]-N-[3-(dimethylamino)propyl]-4-oxo-2-thioxo-, (5E)-
SpectraBase Compound ID 2FluyU7Av0N
InChI InChI=1S/C17H20ClN3O2S2/c1-20(2)8-4-7-19-15(22)11-21-16(23)14(25-17(21)24)10-12-5-3-6-13(18)9-12/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,19,22)/b14-10+
InChIKey QKPQJCLTTCKBJX-GXDHUFHOSA-N
Mol Weight 397.94 g/mol
Molecular Formula C17H20ClN3O2S2
Exact Mass 397.068547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hysli1WuFe
Name 3-Thiazolidineacetamide, 5-[(3-chlorophenyl)methylene]-N-[3-(dimethylamino)propyl]-4-oxo-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.068546942 u
Formula C17H20ClN3O2S2
InChI InChI=1S/C17H20ClN3O2S2/c1-20(2)8-4-7-19-15(22)11-21-16(23)14(25-17(21)24)10-12-5-3-6-13(18)9-12/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,19,22)/b14-10+
InChIKey QKPQJCLTTCKBJX-GXDHUFHOSA-N
Molecular Weight 397.939 g/mol
SMILES N(C(CN1C(S\C(C1=O)=C/C=1C=C(Cl)C=CC1)=S)=O)CCCN(C)C