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4(5H)-Thiazolone, dihydro-3-[3-oxo-3-[2-(3-pyridinyl)-1-piperidinyl]propyl]-5-[phenylmethylidene]-2-thioxo-
SpectraBase Compound ID L9NkkOsF1Xc
InChI InChI=1S/C23H23N3O2S2/c27-21(25-13-5-4-10-19(25)18-9-6-12-24-16-18)11-14-26-22(28)20(30-23(26)29)15-17-7-2-1-3-8-17/h1-3,6-9,12,15-16,19H,4-5,10-11,13-14H2/b20-15+
InChIKey HOLVBYSBRGUJTL-HMMYKYKNSA-N
Mol Weight 437.58 g/mol
Molecular Formula C23H23N3O2S2
Exact Mass 437.123169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EoPbFvFgzY
Name 4(5H)-Thiazolone, dihydro-3-[3-oxo-3-[2-(3-pyridinyl)-1-piperidinyl]propyl]-5-[phenylmethylidene]-2-thioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.123169339 u
Formula C23H23N3O2S2
InChI InChI=1S/C23H23N3O2S2/c27-21(25-13-5-4-10-19(25)18-9-6-12-24-16-18)11-14-26-22(28)20(30-23(26)29)15-17-7-2-1-3-8-17/h1-3,6-9,12,15-16,19H,4-5,10-11,13-14H2/b20-15+
InChIKey HOLVBYSBRGUJTL-HMMYKYKNSA-N
Molecular Weight 437.576 g/mol
SMILES C=1C=CC(\C=C/2C(N(C(S2)=S)CCC(N2C(C=3C=NC=CC3)CCCC2)=O)=O)=CC1