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N-(2-methoxyphenyl)-N'-[(2-phenyl-4-quinolinyl)carbonyl]thiourea
SpectraBase Compound ID 8M3KLqi7Ysc
InChI InChI=1S/C24H19N3O2S/c1-29-22-14-8-7-13-20(22)26-24(30)27-23(28)18-15-21(16-9-3-2-4-10-16)25-19-12-6-5-11-17(18)19/h2-15H,1H3,(H2,26,27,28,30)
InChIKey PQASAMHHPGZMCD-UHFFFAOYSA-N
Mol Weight 413.5 g/mol
Molecular Formula C24H19N3O2S
Exact Mass 413.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVndnS8EAQD
Name N-(2-Methoxyphenyl)-N'-[(2-phenyl-4-quinolinyl)carbonyl]thiourea
Comments Computed using HOSE algorithm
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Exact Mass 413.119798036 u
Formula C24H19N3O2S
InChI InChI=1S/C24H19N3O2S/c1-29-22-14-8-7-13-20(22)26-24(30)27-23(28)18-15-21(16-9-3-2-4-10-16)25-19-12-6-5-11-17(18)19/h2-15H,1H3,(H2,26,27,28,30)
InChIKey PQASAMHHPGZMCD-UHFFFAOYSA-N
Molecular Weight 413.495 g/mol
SMILES N(C(C=1C=C(C2=CC=CC=C2)N=C2C1C=CC=C2)=O)C(NC1=C(OC)C=CC=C1)=S