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N'-(4-bromobenzoyl)-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea

View entire compound with spectra: 2 NMR

N'-(4-bromobenzoyl)-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
SpectraBase Compound ID KzkTowYBlYk
InChI InChI=1S/C25H26BrN3O3S/c1-16-7-13-20(14-8-16)29-22(30)15-21(24(29)32)28(19-5-3-2-4-6-19)25(33)27-23(31)17-9-11-18(26)12-10-17/h7-14,19,21H,2-6,15H2,1H3,(H,27,31,33)
InChIKey PDNPBQRUCQXPNI-UHFFFAOYSA-N
Mol Weight 528.47 g/mol
Molecular Formula C25H26BrN3O3S
Exact Mass 527.087826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ADGmAe7fDj
Name N'-(4-Bromobenzoyl)-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.087825880 u
Formula C25H26BrN3O3S
InChI InChI=1S/C25H26BrN3O3S/c1-16-7-13-20(14-8-16)29-22(30)15-21(24(29)32)28(19-5-3-2-4-6-19)25(33)27-23(31)17-9-11-18(26)12-10-17/h7-14,19,21H,2-6,15H2,1H3,(H,27,31,33)
InChIKey PDNPBQRUCQXPNI-UHFFFAOYSA-N
Molecular Weight 528.465 g/mol
SMILES N(C(N(C1C(N(C(=O)C1)C=1C=CC(=CC1)C)=O)C1CCCCC1)=S)C(C1=CC=C(C=C1)Br)=O