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4-{(5Z)-5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-N-(4-methyl-1,3-thiazol-2-yl)butanamide

View entire compound with spectra: 2 NMR

4-{(5Z)-5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SpectraBase Compound ID 3b8jHIETURw
InChI InChI=1S/C21H21N3O2S3/c1-14(11-16-7-4-3-5-8-16)12-17-19(26)24(21(27)29-17)10-6-9-18(25)23-20-22-15(2)13-28-20/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,22,23,25)/b14-11+,17-12-
InChIKey YKCGKARPVPNQSX-YYMXQEISSA-N
Mol Weight 443.6 g/mol
Molecular Formula C21H21N3O2S3
Exact Mass 443.07959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 862hwMlTiHM
Name 4-{(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-N-(4-methyl-1,3-thiazol-2-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.079590448 u
Formula C21H21N3O2S3
InChI InChI=1S/C21H21N3O2S3/c1-14(11-16-7-4-3-5-8-16)12-17-19(26)24(21(27)29-17)10-6-9-18(25)23-20-22-15(2)13-28-20/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,22,23,25)/b14-11+,17-12-
InChIKey YKCGKARPVPNQSX-YYMXQEISSA-N
Molecular Weight 443.598 g/mol
SMILES N(C1=NC(C)=CS1)C(CCCN1C(S\C(C1=O)=C\C(=C\C1=CC=CC=C1)C)=S)=O