![1-(2-Naphthyl)-3-[p-(piperidinosulfonyl)phenyl]-2-thiourea](/api/spectrum/BKwcSeW7eda/structure.png?h=300&w=458 "1-(2-Naphthyl)-3-[p-(piperidinosulfonyl)phenyl]-2-thiourea")
| SpectraBase Compound ID | kPQp4P6OSg |
|---|---|
| InChI | InChI=1S/C22H23N3O2S2/c26-29(27,25-14-4-1-5-15-25)21-12-10-19(11-13-21)23-22(28)24-20-9-8-17-6-2-3-7-18(17)16-20/h2-3,6-13,16H,1,4-5,14-15H2,(H2,23,24,28) |
| InChIKey | PSFVYZLWJLGNFM-UHFFFAOYSA-N |
| Mol Weight | 425.57 g/mol |
| Molecular Formula | C22H23N3O2S2 |
| Exact Mass | 425.123169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKwcSeW7eda |
|---|---|
| Name | 1-(2-Naphthyl)-3-[p-(piperidinosulfonyl)phenyl]-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.123169339 u |
| Formula | C22H23N3O2S2 |
| InChI | InChI=1S/C22H23N3O2S2/c26-29(27,25-14-4-1-5-15-25)21-12-10-19(11-13-21)23-22(28)24-20-9-8-17-6-2-3-7-18(17)16-20/h2-3,6-13,16H,1,4-5,14-15H2,(H2,23,24,28) |
| InChIKey | PSFVYZLWJLGNFM-UHFFFAOYSA-N |
| Molecular Weight | 425.565 g/mol |
| SMILES | N(C1=CC=C(C=C1)S(=O)(=O)N1CCCCC1)C(NC=1C=CC=2C=CC=CC2C1)=S |