![4-(2-{[(4-ethoxyanilino)carbothioyl]amino}ethyl)benzenesulfonamide](/api/spectrum/5KWMMRw5vvi/structure.png?h=300&w=458 "4-(2-{[(4-ethoxyanilino)carbothioyl]amino}ethyl)benzenesulfonamide")
| SpectraBase Compound ID | CASt51VDRuV |
|---|---|
| InChI | InChI=1S/C17H21N3O3S2/c1-2-23-15-7-5-14(6-8-15)20-17(24)19-12-11-13-3-9-16(10-4-13)25(18,21)22/h3-10H,2,11-12H2,1H3,(H2,18,21,22)(H2,19,20,24) |
| InChIKey | QQNBNGUUJGJSQJ-UHFFFAOYSA-N |
| Mol Weight | 379.49 g/mol |
| Molecular Formula | C17H21N3O3S2 |
| Exact Mass | 379.102434 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5KWMMRw5vvi |
|---|---|
| Name | 4-(2-{[(4-ethoxyanilino)carbothioyl]amino}ethyl)benzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.102433893 u |
| Formula | C17H21N3O3S2 |
| InChI | InChI=1S/C17H21N3O3S2/c1-2-23-15-7-5-14(6-8-15)20-17(24)19-12-11-13-3-9-16(10-4-13)25(18,21)22/h3-10H,2,11-12H2,1H3,(H2,18,21,22)(H2,19,20,24) |
| InChIKey | QQNBNGUUJGJSQJ-UHFFFAOYSA-N |
| Molecular Weight | 379.493 g/mol |
| SMILES | N(C(NCCC=1C=CC(S(=O)(=O)N)=CC1)=S)C=1C=CC(=CC1)OCC |