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4-thiazolidinone, 5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-3-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-2-thioxo-, (5Z)-
SpectraBase Compound ID FuesAj9jw0
InChI InChI=1S/C21H25N3O2S2/c1-16(14-17-6-4-3-5-7-17)15-18-20(26)24(21(27)28-18)9-8-19(25)23-12-10-22(2)11-13-23/h3-7,14-15H,8-13H2,1-2H3/b16-14+,18-15-
InChIKey JQYCAMITICCEPY-BEQKSFQUSA-N
Mol Weight 415.57 g/mol
Molecular Formula C21H25N3O2S2
Exact Mass 415.138819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IuEXKSVni8
Name 4-Thiazolidinone, 5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-3-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-2-thioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.138819403 u
Formula C21H25N3O2S2
InChI InChI=1S/C21H25N3O2S2/c1-16(14-17-6-4-3-5-7-17)15-18-20(26)24(21(27)28-18)9-8-19(25)23-12-10-22(2)11-13-23/h3-7,14-15H,8-13H2,1-2H3/b16-14+,18-15-
InChIKey JQYCAMITICCEPY-BEQKSFQUSA-N
Molecular Weight 415.570 g/mol
SMILES C1=CC=C(\C=C\(\C=C\2C(N(C(S2)=S)CCC(N2CCN(CC2)C)=O)=O)C)C=C1