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2-(4-tert-butylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-quinolinecarboxamide

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2-(4-tert-butylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-quinolinecarboxamide
SpectraBase Compound ID ITbZgk8pFan
InChI InChI=1S/C23H23N3OS/c1-23(2,3)16-10-8-15(9-11-16)20-14-18(17-6-4-5-7-19(17)25-20)21(27)26-22-24-12-13-28-22/h4-11,14H,12-13H2,1-3H3,(H,24,26,27)
InChIKey MLLAPZGKTSDBSE-UHFFFAOYSA-N
Mol Weight 389.52 g/mol
Molecular Formula C23H23N3OS
Exact Mass 389.156184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vJfTu1ueQ4
Name 2-(4-Tert-butylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.156183546 u
Formula C23H23N3OS
InChI InChI=1S/C23H23N3OS/c1-23(2,3)16-10-8-15(9-11-16)20-14-18(17-6-4-5-7-19(17)25-20)21(27)26-22-24-12-13-28-22/h4-11,14H,12-13H2,1-3H3,(H,24,26,27)
InChIKey MLLAPZGKTSDBSE-UHFFFAOYSA-N
Molecular Weight 389.517 g/mol
SMILES N(C1=NCCS1)C(C1=CC(C2=CC=C(C(C)(C)C)C=C2)=NC=2C1=CC=CC2)=O