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5-[4-[2-[4-(Pyridin-2-yl)piperazin-1-yl]ethoxy]phenylmethylene]thiazolidin-2,4-dione
SpectraBase Compound ID 3yKfJRTxuDh
InChI InChI=1S/C21H22N4O3S/c26-20-18(29-21(27)23-20)15-16-4-6-17(7-5-16)28-14-13-24-9-11-25(12-10-24)19-3-1-2-8-22-19/h1-8,15H,9-14H2,(H,23,26,27)/b18-15+
InChIKey MAXGNWJGQKWRLL-OBGWFSINSA-N
Mol Weight 410.49 g/mol
Molecular Formula C21H22N4O3S
Exact Mass 410.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Km2uiXfUZtq
Name 5-[4-[2-[4-(Pyridin-2-yl)piperazin-1-yl]ethoxy]phenylmethylene]thiazolidin-2,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 410.141261755 u
Formula C21H22N4O3S
InChI InChI=1S/C21H22N4O3S/c26-20-18(29-21(27)23-20)15-16-4-6-17(7-5-16)28-14-13-24-9-11-25(12-10-24)19-3-1-2-8-22-19/h1-8,15H,9-14H2,(H,23,26,27)/b18-15+
InChIKey MAXGNWJGQKWRLL-OBGWFSINSA-N
Molecular Weight 410.492 g/mol
SMILES C1(NC(\C(S1)=C/C=1C=CC(=CC1)OCCN1CCN(CC1)C1=NC=CC=C1)=O)=O