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N-[5-(4-bromophenyl)-2-furoyl]-N'-[2-(1-piperidinyl)phenyl]thiourea

View entire compound with spectra: 2 NMR

N-[5-(4-bromophenyl)-2-furoyl]-N'-[2-(1-piperidinyl)phenyl]thiourea
SpectraBase Compound ID 7gYmNwr28D1
InChI InChI=1S/C23H22BrN3O2S/c24-17-10-8-16(9-11-17)20-12-13-21(29-20)22(28)26-23(30)25-18-6-2-3-7-19(18)27-14-4-1-5-15-27/h2-3,6-13H,1,4-5,14-15H2,(H2,25,26,28,30)
InChIKey VYROECUABGMHDE-UHFFFAOYSA-N
Mol Weight 484.41 g/mol
Molecular Formula C23H22BrN3O2S
Exact Mass 483.061611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27mpk75l3O8
Name N-[5-(4-Bromophenyl)-2-furoyl]-N'-[2-(1-piperidinyl)phenyl]thiourea
Comments Computed using HOSE algorithm
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Exact Mass 483.061611132 u
Formula C23H22BrN3O2S
InChI InChI=1S/C23H22BrN3O2S/c24-17-10-8-16(9-11-17)20-12-13-21(29-20)22(28)26-23(30)25-18-6-2-3-7-19(18)27-14-4-1-5-15-27/h2-3,6-13H,1,4-5,14-15H2,(H2,25,26,28,30)
InChIKey VYROECUABGMHDE-UHFFFAOYSA-N
Molecular Weight 484.412 g/mol
SMILES N(C(NC(C=1OC(C=2C=CC(=CC2)Br)=CC1)=O)=S)C1=C(N2CCCCC2)C=CC=C1