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N-[3-(aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-phenyl-4-quinolinecarboxamide

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N-[3-(aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-phenyl-4-quinolinecarboxamide
SpectraBase Compound ID 637VgXiRSng
InChI InChI=1S/C32H29N3O2S/c1-19-27(21-14-16-22(17-15-21)32(2,3)4)28(29(33)36)31(38-19)35-30(37)24-18-26(20-10-6-5-7-11-20)34-25-13-9-8-12-23(24)25/h5-18H,1-4H3,(H2,33,36)(H,35,37)
InChIKey ZJAQABIDLRTBSR-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C32H29N3O2S
Exact Mass 519.198048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LMpR0HrLti
Name N-[3-(Aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-phenyl-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 519.198048358 u
Formula C32H29N3O2S
InChI InChI=1S/C32H29N3O2S/c1-19-27(21-14-16-22(17-15-21)32(2,3)4)28(29(33)36)31(38-19)35-30(37)24-18-26(20-10-6-5-7-11-20)34-25-13-9-8-12-23(24)25/h5-18H,1-4H3,(H2,33,36)(H,35,37)
InChIKey ZJAQABIDLRTBSR-UHFFFAOYSA-N
Molecular Weight 519.663 g/mol
SMILES N(C1=C(C(=O)N)C(=C(S1)C)C=1C=CC(C(C)(C)C)=CC1)C(C1=CC(C2=CC=CC=C2)=NC=2C1=CC=CC2)=O