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N-(2-bromo-4-methylphenyl)-N'-{[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}thiourea

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N-(2-bromo-4-methylphenyl)-N'-{[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID 29e6giUA6k
InChI InChI=1S/C24H17BrClN3OS/c1-14-6-11-21(19(25)12-14)28-24(31)29-23(30)18-13-22(15-7-9-16(26)10-8-15)27-20-5-3-2-4-17(18)20/h2-13H,1H3,(H2,28,29,30,31)
InChIKey LJMWGZRMTGZADI-UHFFFAOYSA-N
Mol Weight 510.84 g/mol
Molecular Formula C24H17BrClN3OS
Exact Mass 508.996424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3OAjE33sP9
Name N-(2-Bromo-4-methylphenyl)-N'-{[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}thiourea
Comments Computed using HOSE algorithm
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Exact Mass 508.996424052 u
Formula C24H17BrClN3OS
InChI InChI=1S/C24H17BrClN3OS/c1-14-6-11-21(19(25)12-14)28-24(31)29-23(30)18-13-22(15-7-9-16(26)10-8-15)27-20-5-3-2-4-17(18)20/h2-13H,1H3,(H2,28,29,30,31)
InChIKey LJMWGZRMTGZADI-UHFFFAOYSA-N
Molecular Weight 510.837 g/mol
SMILES N(C(C=1C=C(C=2C=CC(=CC2)Cl)N=C2C1C=CC=C2)=O)C(NC=1C(=CC(=CC1)C)Br)=S