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

View entire compound with spectra: 2 NMR

N-[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-(2-methylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID EDxWf3mEnbn
InChI InChI=1S/C24H21N3O2S/c1-13-8-4-5-9-16(13)20-12-18(17-10-6-7-11-19(17)26-20)23(29)27-24-21(22(25)28)14(2)15(3)30-24/h4-12H,1-3H3,(H2,25,28)(H,27,29)
InChIKey NHQSEMBQYAMMIK-UHFFFAOYSA-N
Mol Weight 415.51 g/mol
Molecular Formula C24H21N3O2S
Exact Mass 415.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGDdWfPlnid
Name N-[3-(Aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-(2-methylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 415.135448100 u
Formula C24H21N3O2S
InChI InChI=1S/C24H21N3O2S/c1-13-8-4-5-9-16(13)20-12-18(17-10-6-7-11-19(17)26-20)23(29)27-24-21(22(25)28)14(2)15(3)30-24/h4-12H,1-3H3,(H2,25,28)(H,27,29)
InChIKey NHQSEMBQYAMMIK-UHFFFAOYSA-N
Molecular Weight 415.511 g/mol
SMILES NC(C1=C(SC(=C1C)C)NC(C=1C=C(C2=C(C)C=CC=C2)N=C2C1C=CC=C2)=O)=O