![N-acetyl-N'-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]thiourea](/api/spectrum/t5xyWeWoZR/structure.png?h=300&w=458 "N-acetyl-N'-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]thiourea")
| SpectraBase Compound ID | 4adeQZ9s8uI |
|---|---|
| InChI | InChI=1S/C17H15N3O2S2/c1-10(21)18-17(23)20-13-9-11(7-8-14(13)22-2)16-19-12-5-3-4-6-15(12)24-16/h3-9H,1-2H3,(H2,18,20,21,23) |
| InChIKey | FIPVFUJNTCODGL-UHFFFAOYSA-N |
| Mol Weight | 357.45 g/mol |
| Molecular Formula | C17H15N3O2S2 |
| Exact Mass | 357.060569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | t5xyWeWoZR |
|---|---|
| Name | N-Acetyl-N'-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.060569081 u |
| Formula | C17H15N3O2S2 |
| InChI | InChI=1S/C17H15N3O2S2/c1-10(21)18-17(23)20-13-9-11(7-8-14(13)22-2)16-19-12-5-3-4-6-15(12)24-16/h3-9H,1-2H3,(H2,18,20,21,23) |
| InChIKey | FIPVFUJNTCODGL-UHFFFAOYSA-N |
| SMILES | N(C(NC(=O)C)=S)C1=CC(C2=NC=3C=CC=CC3S2)=CC=C1OC |