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

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N-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N'-(4-methoxyphenyl)thiourea
SpectraBase Compound ID 3Z3OFjSeBaB
InChI InChI=1S/C28H27N3O3S/c1-18(2)17-34-22-8-6-7-19(15-22)26-16-24(23-9-4-5-10-25(23)30-26)27(32)31-28(35)29-20-11-13-21(33-3)14-12-20/h4-16,18H,17H2,1-3H3,(H2,29,31,32,35)
InChIKey DBMYXCNRQJCSTM-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C28H27N3O3S
Exact Mass 485.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrhqfDRXflI
Name N-{[2-(3-Isobutoxyphenyl)-4-quinolinyl]carbonyl}-N'-(4-methoxyphenyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 485.177312912 u
Formula C28H27N3O3S
InChI InChI=1S/C28H27N3O3S/c1-18(2)17-34-22-8-6-7-19(15-22)26-16-24(23-9-4-5-10-25(23)30-26)27(32)31-28(35)29-20-11-13-21(33-3)14-12-20/h4-16,18H,17H2,1-3H3,(H2,29,31,32,35)
InChIKey DBMYXCNRQJCSTM-UHFFFAOYSA-N
Molecular Weight 485.602 g/mol
SMILES N(C(C=1C=C(C=2C=C(OCC(C)C)C=CC2)N=C2C1C=CC=C2)=O)C(NC1=CC=C(C=C1)OC)=S