![Methyl 2-({[2-(1-benzothien-3-ylcarbonyl)hydrazino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/BrHFHemuhYt/structure.png?h=300&w=458 "Methyl 2-({[2-(1-benzothien-3-ylcarbonyl)hydrazino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
| SpectraBase Compound ID | CsRkfvWtW4c |
|---|---|
| InChI | InChI=1S/C20H19N3O3S3/c1-26-19(25)16-12-7-3-5-9-15(12)29-18(16)21-20(27)23-22-17(24)13-10-28-14-8-4-2-6-11(13)14/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,22,24)(H2,21,23,27) |
| InChIKey | JTYALZDDRPECJL-UHFFFAOYSA-N |
| Mol Weight | 445.57 g/mol |
| Molecular Formula | C20H19N3O3S3 |
| Exact Mass | 445.058855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BrHFHemuhYt |
|---|---|
| Name | Methyl 2-({[2-(1-benzothien-3-ylcarbonyl)hydrazino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.058855003 u |
| Formula | C20H19N3O3S3 |
| InChI | InChI=1S/C20H19N3O3S3/c1-26-19(25)16-12-7-3-5-9-15(12)29-18(16)21-20(27)23-22-17(24)13-10-28-14-8-4-2-6-11(13)14/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,22,24)(H2,21,23,27) |
| InChIKey | JTYALZDDRPECJL-UHFFFAOYSA-N |
| Molecular Weight | 445.570 g/mol |
| SMILES | N(C1=C(C=2CCCCC2S1)C(=O)OC)C(NNC(C1=CSC2=C1C=CC=C2)=O)=S |