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N-(4-iodophenyl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea

View entire compound with spectra: 2 NMR

N-(4-iodophenyl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID 7gDcwDGYShe
InChI InChI=1S/C27H24IN3O2S/c1-17(2)16-33-21-7-5-6-18(14-21)25-15-23(22-8-3-4-9-24(22)30-25)26(32)31-27(34)29-20-12-10-19(28)11-13-20/h3-15,17H,16H2,1-2H3,(H2,29,31,32,34)
InChIKey UJSMGVXWFCWBKT-UHFFFAOYSA-N
Mol Weight 581.47 g/mol
Molecular Formula C27H24IN3O2S
Exact Mass 581.063393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpaafjWrMjC
Name N-(4-Iodophenyl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea
Comments Computed using HOSE algorithm
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Exact Mass 581.063393197 u
Formula C27H24IN3O2S
InChI InChI=1S/C27H24IN3O2S/c1-17(2)16-33-21-7-5-6-18(14-21)25-15-23(22-8-3-4-9-24(22)30-25)26(32)31-27(34)29-20-12-10-19(28)11-13-20/h3-15,17H,16H2,1-2H3,(H2,29,31,32,34)
InChIKey UJSMGVXWFCWBKT-UHFFFAOYSA-N
Molecular Weight 581.472 g/mol
SMILES N(C(C=1C=C(C=2C=C(OCC(C)C)C=CC2)N=C2C1C=CC=C2)=O)C(NC=1C=CC(=CC1)I)=S