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4-thiazolidinone, 5-[(3-methoxyphenyl)methylene]-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-thioxo-, (5Z)-
SpectraBase Compound ID GHwHluBzJk7
InChI InChI=1S/C25H27N3O3S2/c1-31-21-10-5-7-19(17-21)18-22-24(30)28(25(32)33-22)12-6-11-23(29)27-15-13-26(14-16-27)20-8-3-2-4-9-20/h2-5,7-10,17-18H,6,11-16H2,1H3/b22-18-
InChIKey KKCBNUOMWGUQDN-PYCFMQQDSA-N
Mol Weight 481.63 g/mol
Molecular Formula C25H27N3O3S2
Exact Mass 481.149384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dgz8V44KTys
Name 4-Thiazolidinone, 5-[(3-methoxyphenyl)methylene]-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-thioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.149384086 u
Formula C25H27N3O3S2
InChI InChI=1S/C25H27N3O3S2/c1-31-21-10-5-7-19(17-21)18-22-24(30)28(25(32)33-22)12-6-11-23(29)27-15-13-26(14-16-27)20-8-3-2-4-9-20/h2-5,7-10,17-18H,6,11-16H2,1H3/b22-18-
InChIKey KKCBNUOMWGUQDN-PYCFMQQDSA-N
Molecular Weight 481.629 g/mol
SMILES C=1C=CC(N2CCN(C(CCCN3C(S\C(C3=O)=C\C=3C=C(OC)C=CC3)=S)=O)CC2)=CC1