![N-(1-benzofuran-2-ylcarbonyl)-N'-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]thiourea](/api/spectrum/BHHmHqi2HMb/structure.png?h=300&w=458 "N-(1-benzofuran-2-ylcarbonyl)-N'-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]thiourea")
| SpectraBase Compound ID | 2VRTc1dTy0Q |
|---|---|
| InChI | InChI=1S/C24H25ClN4O3S/c1-2-5-22(30)29-12-10-28(11-13-29)19-9-8-17(15-18(19)25)26-24(33)27-23(31)21-14-16-6-3-4-7-20(16)32-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H2,26,27,31,33) |
| InChIKey | NVWUVEMOIIYQLU-UHFFFAOYSA-N |
| Mol Weight | 485.0 g/mol |
| Molecular Formula | C24H25ClN4O3S |
| Exact Mass | 484.13359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHHmHqi2HMb |
|---|---|
| Name | N-(1-Benzofuran-2-ylcarbonyl)-N'-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.133589552 u |
| Formula | C24H25ClN4O3S |
| InChI | InChI=1S/C24H25ClN4O3S/c1-2-5-22(30)29-12-10-28(11-13-29)19-9-8-17(15-18(19)25)26-24(33)27-23(31)21-14-16-6-3-4-7-20(16)32-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H2,26,27,31,33) |
| InChIKey | NVWUVEMOIIYQLU-UHFFFAOYSA-N |
| Molecular Weight | 485.002 g/mol |
| SMILES | N(C(C=1OC=2C=CC=CC2C1)=O)C(NC1=CC(Cl)=C(N2CCN(CC2)C(=O)CCC)C=C1)=S |