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Methyl [4-({[4-(aminocarbonyl)-1-piperidinyl]carbothioyl}amino)phenyl]acetate

View entire compound with spectra: 2 NMR

Methyl [4-({[4-(aminocarbonyl)-1-piperidinyl]carbothioyl}amino)phenyl]acetate
SpectraBase Compound ID HVZEHvL3WxI
InChI InChI=1S/C16H21N3O3S/c1-22-14(20)10-11-2-4-13(5-3-11)18-16(23)19-8-6-12(7-9-19)15(17)21/h2-5,12H,6-10H2,1H3,(H2,17,21)(H,18,23)
InChIKey LICHWKYSRZODBD-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C16H21N3O3S
Exact Mass 335.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFD45w3Q049
Name Methyl [4-({[4-(aminocarbonyl)-1-piperidinyl]carbothioyl}amino)phenyl]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.130362719 u
Formula C16H21N3O3S
InChI InChI=1S/C16H21N3O3S/c1-22-14(20)10-11-2-4-13(5-3-11)18-16(23)19-8-6-12(7-9-19)15(17)21/h2-5,12H,6-10H2,1H3,(H2,17,21)(H,18,23)
InChIKey LICHWKYSRZODBD-UHFFFAOYSA-N
SMILES NC(C1CCN(C(NC=2C=CC(CC(=O)OC)=CC2)=S)CC1)=O