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N-[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide

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N-[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID 5ckThJFd6zf
InChI InChI=1S/C21H16ClN3O2S2/c1-10-11(2)28-21(18(10)19(23)26)25-20(27)13-9-15(16-7-8-17(22)29-16)24-14-6-4-3-5-12(13)14/h3-9H,1-2H3,(H2,23,26)(H,25,27)
InChIKey VPTXOCUXXJWBNN-UHFFFAOYSA-N
Mol Weight 441.95 g/mol
Molecular Formula C21H16ClN3O2S2
Exact Mass 441.037247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lJlDwnO4rb
Name N-[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.037246813 u
Formula C21H16ClN3O2S2
InChI InChI=1S/C21H16ClN3O2S2/c1-10-11(2)28-21(18(10)19(23)26)25-20(27)13-9-15(16-7-8-17(22)29-16)24-14-6-4-3-5-12(13)14/h3-9H,1-2H3,(H2,23,26)(H,25,27)
InChIKey VPTXOCUXXJWBNN-UHFFFAOYSA-N
Molecular Weight 441.951 g/mol
SMILES NC(C1=C(SC(=C1C)C)NC(C=1C=C(C=2SC(Cl)=CC2)N=C2C1C=CC=C2)=O)=O