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3-thiazolidinebutanamide, N-(4-methylphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-

View entire compound with spectra: 2 NMR

3-thiazolidinebutanamide, N-(4-methylphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
SpectraBase Compound ID IBodaSbv2t5
InChI InChI=1S/C19H18N2O2S3/c1-13-6-8-14(9-7-13)20-17(22)5-2-10-21-18(23)16(26-19(21)24)12-15-4-3-11-25-15/h3-4,6-9,11-12H,2,5,10H2,1H3,(H,20,22)/b16-12+
InChIKey XEMPPVGHDOEPCF-FOWTUZBSSA-N
Mol Weight 402.55 g/mol
Molecular Formula C19H18N2O2S3
Exact Mass 402.053041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eS3Sor85Dm
Name 3-Thiazolidinebutanamide, N-(4-methylphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.053041348 u
Formula C19H18N2O2S3
InChI InChI=1S/C19H18N2O2S3/c1-13-6-8-14(9-7-13)20-17(22)5-2-10-21-18(23)16(26-19(21)24)12-15-4-3-11-25-15/h3-4,6-9,11-12H,2,5,10H2,1H3,(H,20,22)/b16-12+
InChIKey XEMPPVGHDOEPCF-FOWTUZBSSA-N
Molecular Weight 402.545 g/mol
SMILES N(C(CCCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O)C1=CC=C(C=C1)C