![1-(2-Benzothiazolyl)-3-[(1,2,3-thiadiazol-4-yl)carbonyl]urea](/api/spectrum/2Cx7FjCJcOt/structure.png?h=300&w=458 "1-(2-Benzothiazolyl)-3-[(1,2,3-thiadiazol-4-yl)carbonyl]urea")
| SpectraBase Compound ID | AllGHW06fWZ |
|---|---|
| InChI | InChI=1S/C11H7N5O2S2/c17-9(7-5-19-16-15-7)13-10(18)14-11-12-6-3-1-2-4-8(6)20-11/h1-5H,(H2,12,13,14,17,18) |
| InChIKey | XOLXXKREYQHCQV-UHFFFAOYSA-N |
| Mol Weight | 305.33 g/mol |
| Molecular Formula | C11H7N5O2S2 |
| Exact Mass | 305.004117 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Cx7FjCJcOt |
|---|---|
| Name | 1-(2-Benzothiazolyl)-3-[(1,2,3-thiadiazol-4-yl)carbonyl]urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.004116831 u |
| Formula | C11H7N5O2S2 |
| InChI | InChI=1S/C11H7N5O2S2/c17-9(7-5-19-16-15-7)13-10(18)14-11-12-6-3-1-2-4-8(6)20-11/h1-5H,(H2,12,13,14,17,18) |
| InChIKey | XOLXXKREYQHCQV-UHFFFAOYSA-N |
| SMILES | N(C(NC(C1=CSN=N1)=O)=O)C=1SC=2C=CC=CC2N1 |