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N-[3-(methylsulfanyl)phenyl]-2-(5-methyl-2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID 5Dk7IPGMGQV
InChI InChI=1S/C22H18N2OS2/c1-14-10-11-21(27-14)20-13-18(17-8-3-4-9-19(17)24-20)22(25)23-15-6-5-7-16(12-15)26-2/h3-13H,1-2H3,(H,23,25)
InChIKey KYHBIYDYBYOUBK-UHFFFAOYSA-N
Mol Weight 390.52 g/mol
Molecular Formula C22H18N2OS2
Exact Mass 390.086056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyOdXebBTkp
Name N-[3-(Methylsulfanyl)phenyl]-2-(5-methyl-2-thienyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 390.086055555 u
Formula C22H18N2OS2
InChI InChI=1S/C22H18N2OS2/c1-14-10-11-21(27-14)20-13-18(17-8-3-4-9-19(17)24-20)22(25)23-15-6-5-7-16(12-15)26-2/h3-13H,1-2H3,(H,23,25)
InChIKey KYHBIYDYBYOUBK-UHFFFAOYSA-N
Molecular Weight 390.519 g/mol
SMILES N(C=1C=C(C=CC1)SC)C(C1=CC(C=2SC(C)=CC2)=NC=2C1=CC=CC2)=O