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3-{[3-(4-ethylanilino)-3-oxopropyl]sulfanyl}-N-(4-ethylphenyl)propanamide

View entire compound with spectra: 2 NMR

3-{[3-(4-ethylanilino)-3-oxopropyl]sulfanyl}-N-(4-ethylphenyl)propanamide
SpectraBase Compound ID KbvKcU8Ru0J
InChI InChI=1S/C22H28N2O2S/c1-3-17-5-9-19(10-6-17)23-21(25)13-15-27-16-14-22(26)24-20-11-7-18(4-2)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKey YHWYTMBTZSCQEH-UHFFFAOYSA-N
Mol Weight 384.54 g/mol
Molecular Formula C22H28N2O2S
Exact Mass 384.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 563vUSuDH0S
Name 3-{[3-(4-Ethylanilino)-3-oxopropyl]sulfanyl}-N-(4-ethylphenyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.187149322 u
Formula C22H28N2O2S
InChI InChI=1S/C22H28N2O2S/c1-3-17-5-9-19(10-6-17)23-21(25)13-15-27-16-14-22(26)24-20-11-7-18(4-2)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKey YHWYTMBTZSCQEH-UHFFFAOYSA-N
SMILES N(C(CCSCCC(NC1=CC=C(C=C1)CC)=O)=O)C=1C=CC(CC)=CC1