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3-thiazolidinepropanamide, N-(2-benzothiazolyl)-5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-, (5Z)-
SpectraBase Compound ID AkojDP1DI8o
InChI InChI=1S/C22H19N3O4S3/c1-28-15-8-7-13(11-16(15)29-2)12-18-20(27)25(22(30)32-18)10-9-19(26)24-21-23-14-5-3-4-6-17(14)31-21/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,26)/b18-12-
InChIKey YRSJMQDGXGEYAQ-PDGQHHTCSA-N
Mol Weight 485.59 g/mol
Molecular Formula C22H19N3O4S3
Exact Mass 485.05377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rNIgFd8sD8
Name 3-Thiazolidinepropanamide, N-(2-benzothiazolyl)-5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.053769622 u
Formula C22H19N3O4S3
InChI InChI=1S/C22H19N3O4S3/c1-28-15-8-7-13(11-16(15)29-2)12-18-20(27)25(22(30)32-18)10-9-19(26)24-21-23-14-5-3-4-6-17(14)31-21/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,26)/b18-12-
InChIKey YRSJMQDGXGEYAQ-PDGQHHTCSA-N
Molecular Weight 485.591 g/mol
SMILES N(C1=NC=2C=CC=CC2S1)C(CCN1C(S\C(C1=O)=C\C1=CC(OC)=C(C=C1)OC)=S)=O