![1-Phenyl-3-[p-(piperidinosulfonyl)phenyl]-2-thiourea](/api/spectrum/LkFeLAOnylK/structure.png?h=300&w=458 "1-Phenyl-3-[p-(piperidinosulfonyl)phenyl]-2-thiourea")
| SpectraBase Compound ID | 7dNOAodwgVA |
|---|---|
| InChI | InChI=1S/C18H21N3O2S2/c22-25(23,21-13-5-2-6-14-21)17-11-9-16(10-12-17)20-18(24)19-15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,24) |
| InChIKey | QKCVBUNNFIKVNW-UHFFFAOYSA-N |
| Mol Weight | 375.51 g/mol |
| Molecular Formula | C18H21N3O2S2 |
| Exact Mass | 375.107519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LkFeLAOnylK |
|---|---|
| Name | 1-Phenyl-3-[p-(piperidinosulfonyl)phenyl]-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.107519274 u |
| Formula | C18H21N3O2S2 |
| InChI | InChI=1S/C18H21N3O2S2/c22-25(23,21-13-5-2-6-14-21)17-11-9-16(10-12-17)20-18(24)19-15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,24) |
| InChIKey | QKCVBUNNFIKVNW-UHFFFAOYSA-N |
| Molecular Weight | 375.505 g/mol |
| SMILES | N(C1=CC=C(C=C1)S(=O)(=O)N1CCCCC1)C(NC=1C=CC=CC1)=S |