![1-[3-Hydroxy-2-(4-methylbenzenesulfonamido)-propanoyl]-4-(4-chlorophenyl)thiosemicarbazide](/api/spectrum/ZedeJd46n2/structure.png?h=300&w=458 "1-[3-Hydroxy-2-(4-methylbenzenesulfonamido)-propanoyl]-4-(4-chlorophenyl)thiosemicarbazide")
| SpectraBase Compound ID | FtpRJonKIIt |
|---|---|
| InChI | InChI=1S/C17H19ClN4O4S2/c1-11-2-8-14(9-3-11)28(25,26)22-15(10-23)16(24)20-21-17(27)19-13-6-4-12(18)5-7-13/h2-9,15,22-23H,10H2,1H3,(H,20,24)(H2,19,21,27) |
| InChIKey | DEOAUXQIKRCLOH-UHFFFAOYSA-N |
| Mol Weight | 442.94 g/mol |
| Molecular Formula | C17H19ClN4O4S2 |
| Exact Mass | 442.053625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZedeJd46n2 |
|---|---|
| Name | 1-[3-Hydroxy-2-(4-methylbenzenesulfonamido)-propanoyl]-4-(4-chlorophenyl)thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.053625152 u |
| Formula | C17H19ClN4O4S2 |
| InChI | InChI=1S/C17H19ClN4O4S2/c1-11-2-8-14(9-3-11)28(25,26)22-15(10-23)16(24)20-21-17(27)19-13-6-4-12(18)5-7-13/h2-9,15,22-23H,10H2,1H3,(H,20,24)(H2,19,21,27) |
| InChIKey | DEOAUXQIKRCLOH-UHFFFAOYSA-N |
| Molecular Weight | 442.936 g/mol |
| SMILES | C(NNC(C(CO)NS(=O)(=O)C=1C=CC(=CC1)C)=O)(=S)NC=1C=CC(=CC1)Cl |