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Methyl {4-[({[2-(4-morpholinyl)ethyl]amino}carbothioyl)amino]phenyl}acetate

View entire compound with spectra: 2 NMR

Methyl {4-[({[2-(4-morpholinyl)ethyl]amino}carbothioyl)amino]phenyl}acetate
SpectraBase Compound ID GpDcf3UyHwt
InChI InChI=1S/C16H23N3O3S/c1-21-15(20)12-13-2-4-14(5-3-13)18-16(23)17-6-7-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H2,17,18,23)
InChIKey BWVXDSMPCZJUHI-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C16H23N3O3S
Exact Mass 337.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFp3abt6B44
Name Methyl {4-[({[2-(4-morpholinyl)ethyl]amino}carbothioyl)amino]phenyl}acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.146012784 u
Formula C16H23N3O3S
InChI InChI=1S/C16H23N3O3S/c1-21-15(20)12-13-2-4-14(5-3-13)18-16(23)17-6-7-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H2,17,18,23)
InChIKey BWVXDSMPCZJUHI-UHFFFAOYSA-N
Molecular Weight 337.438 g/mol
SMILES N(C(=S)NCCN1CCOCC1)C=1C=CC(CC(=O)OC)=CC1