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N-(o-chlorobenzoyl)-4-methyl-4,5,6,7-tetrahydrothiothieno[3,2-c]pyridine-5-carboxamide

View entire compound with spectra: 2 NMR, and 1 FTIR

N-(o-chlorobenzoyl)-4-methyl-4,5,6,7-tetrahydrothiothieno[3,2-c]pyridine-5-carboxamide
SpectraBase Compound ID DCMpZsTKsCa
InChI InChI=1S/C16H15ClN2OS2/c1-10-11-7-9-22-14(11)6-8-19(10)16(21)18-15(20)12-4-2-3-5-13(12)17/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)
InChIKey FQDWQIFPXXIVCL-UHFFFAOYSA-N
Mol Weight 350.88 g/mol
Molecular Formula C16H15ClN2OS2
Exact Mass 350.031433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fQ2bw5LrRg
Name N-(o-Chlorobenzoyl)-4-methyl-4,5,6,7-tetrahydrothiothieno[3,2-C]pyridine-5-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.031433158 u
Formula C16H15ClN2OS2
InChI InChI=1S/C16H15ClN2OS2/c1-10-11-7-9-22-14(11)6-8-19(10)16(21)18-15(20)12-4-2-3-5-13(12)17/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)
InChIKey FQDWQIFPXXIVCL-UHFFFAOYSA-N
Molecular Weight 350.882 g/mol
SMILES N(C(C1=CC=CC=C1Cl)=O)C(N1CCC=2SC=CC2C1C)=S