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N-(2,5-dimethoxyphenyl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea

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N-(2,5-dimethoxyphenyl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID GtjKJxwDeeP
InChI InChI=1S/C28H27N3O4S/c1-17(2)35-20-9-7-8-18(14-20)24-16-22(21-10-5-6-11-23(21)29-24)27(32)31-28(36)30-25-15-19(33-3)12-13-26(25)34-4/h5-17H,1-4H3,(H2,30,31,32,36)
InChIKey LKNQQNHVKQOMCU-UHFFFAOYSA-N
Mol Weight 501.6 g/mol
Molecular Formula C28H27N3O4S
Exact Mass 501.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGXDDFm95FB
Name N-(2,5-Dimethoxyphenyl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea
Comments Computed using HOSE algorithm
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Exact Mass 501.172227531 u
Formula C28H27N3O4S
InChI InChI=1S/C28H27N3O4S/c1-17(2)35-20-9-7-8-18(14-20)24-16-22(21-10-5-6-11-23(21)29-24)27(32)31-28(36)30-25-15-19(33-3)12-13-26(25)34-4/h5-17H,1-4H3,(H2,30,31,32,36)
InChIKey LKNQQNHVKQOMCU-UHFFFAOYSA-N
Molecular Weight 501.601 g/mol
SMILES N(C(C=1C=C(C2=CC(OC(C)C)=CC=C2)N=C2C1C=CC=C2)=O)C(NC=1C=C(OC)C=CC1OC)=S