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4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(4-morpholinyl)propyl]butanamide
SpectraBase Compound ID BNDERhVKbb4
InChI InChI=1S/C21H26ClN3O3S2/c22-17-6-2-1-5-16(17)15-18-20(27)25(21(29)30-18)10-3-7-19(26)23-8-4-9-24-11-13-28-14-12-24/h1-2,5-6,15H,3-4,7-14H2,(H,23,26)/b18-15-
InChIKey LPJNRCDQQFNWTI-SDXDJHTJSA-N
Mol Weight 468.03 g/mol
Molecular Formula C21H26ClN3O3S2
Exact Mass 467.110412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDDnSAkG7be
Name 4-[(5Z)-5-(2-Chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(4-morpholinyl)propyl]butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.110411754 u
Formula C21H26ClN3O3S2
InChI InChI=1S/C21H26ClN3O3S2/c22-17-6-2-1-5-16(17)15-18-20(27)25(21(29)30-18)10-3-7-19(26)23-8-4-9-24-11-13-28-14-12-24/h1-2,5-6,15H,3-4,7-14H2,(H,23,26)/b18-15-
InChIKey LPJNRCDQQFNWTI-SDXDJHTJSA-N
Molecular Weight 468.030 g/mol
SMILES N(C(CCCN1C(S\C(C1=O)=C\C=1C(Cl)=CC=CC1)=S)=O)CCCN1CCOCC1