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Thieno[2,3-b]pyridine-2-carboxamide, N-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-[(4-methylbenzoyl)amino]-
SpectraBase Compound ID A9V5jYOXpJC
InChI InChI=1S/C25H22ClN3O2S/c1-14-4-8-18(9-5-14)23(30)29-21-20-15(2)12-16(3)28-25(20)32-22(21)24(31)27-13-17-6-10-19(26)11-7-17/h4-12H,13H2,1-3H3,(H,27,31)(H,29,30)
InChIKey AHCIRVLJXHDOOB-UHFFFAOYSA-N
Mol Weight 463.98 g/mol
Molecular Formula C25H22ClN3O2S
Exact Mass 463.112126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66K4fhAdMqF
Name Thieno[2,3-B]pyridine-2-carboxamide, N-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-[(4-methylbenzoyl)amino]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.112125832 u
Formula C25H22ClN3O2S
InChI InChI=1S/C25H22ClN3O2S/c1-14-4-8-18(9-5-14)23(30)29-21-20-15(2)12-16(3)28-25(20)32-22(21)24(31)27-13-17-6-10-19(26)11-7-17/h4-12H,13H2,1-3H3,(H,27,31)(H,29,30)
InChIKey AHCIRVLJXHDOOB-UHFFFAOYSA-N
Molecular Weight 463.983 g/mol
SMILES C1=2N=C(C=C(C2C(=C(S1)C(NCC=1C=CC(=CC1)Cl)=O)NC(=O)C=1C=CC(=CC1)C)C)C