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3-thiazolidineacetamide, 5-[(2-chlorophenyl)methylene]-N-[2-(dimethylamino)ethyl]-4-oxo-2-thioxo-, (5E)-
SpectraBase Compound ID IMfyk01QSqv
InChI InChI=1S/C16H18ClN3O2S2/c1-19(2)8-7-18-14(21)10-20-15(22)13(24-16(20)23)9-11-5-3-4-6-12(11)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)/b13-9+
InChIKey NTHTZNWWRBCTCW-UKTHLTGXSA-N
Mol Weight 383.91 g/mol
Molecular Formula C16H18ClN3O2S2
Exact Mass 383.052897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID c572JsJ0op
Name 3-Thiazolidineacetamide, 5-[(2-chlorophenyl)methylene]-N-[2-(dimethylamino)ethyl]-4-oxo-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.052896878 u
Formula C16H18ClN3O2S2
InChI InChI=1S/C16H18ClN3O2S2/c1-19(2)8-7-18-14(21)10-20-15(22)13(24-16(20)23)9-11-5-3-4-6-12(11)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)/b13-9+
InChIKey NTHTZNWWRBCTCW-UKTHLTGXSA-N
Molecular Weight 383.912 g/mol
SMILES N(C(CN1C(S\C(C1=O)=C/C=1C(Cl)=CC=CC1)=S)=O)CCN(C)C