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4-(benzyloxy)-N-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
SpectraBase Compound ID D9jD8PnkCGE
InChI InChI=1S/C22H16N2O3S3/c25-20(16-8-10-17(11-9-16)27-14-15-5-2-1-3-6-15)23-24-21(26)19(30-22(24)28)13-18-7-4-12-29-18/h1-13H,14H2,(H,23,25)/b19-13-
InChIKey VRHZDUYGYGCLAC-UYRXBGFRSA-N
Mol Weight 452.56 g/mol
Molecular Formula C22H16N2O3S3
Exact Mass 452.032306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0jWL6QWjm9
Name 4-(Benzyloxy)-N-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.032305902 u
Formula C22H16N2O3S3
InChI InChI=1S/C22H16N2O3S3/c25-20(16-8-10-17(11-9-16)27-14-15-5-2-1-3-6-15)23-24-21(26)19(30-22(24)28)13-18-7-4-12-29-18/h1-13H,14H2,(H,23,25)/b19-13-
InChIKey VRHZDUYGYGCLAC-UYRXBGFRSA-N
Molecular Weight 452.561 g/mol
SMILES N(N1C(\C(=C\C=2SC=CC2)SC1=S)=O)C(C=1C=CC(OCC2=CC=CC=C2)=CC1)=O