| SpectraBase Spectrum ID |
6i92RGtYClf |
| Name |
Ethyl 2-({[(3-chlorobenzoyl)amino]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 |
422.052562525 u |
| Formula |
C19H19ClN2O3S2 |
| InChI |
InChI=1S/C19H19ClN2O3S2/c1-2-25-18(24)15-13-8-3-4-9-14(13)27-17(15)22-19(26)21-16(23)11-6-5-7-12(20)10-11/h5-7,10H,2-4,8-9H2,1H3,(H2,21,22,23,26) |
| InChIKey |
ZMJREHWEFMYZKP-UHFFFAOYSA-N |
| Molecular Weight |
422.945 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(NC(C1=CC(Cl)=CC=C1)=O)=S |
![Ethyl 2-({[(3-chlorobenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/6i92RGtYClf/structure.png?h=300&w=458 "Ethyl 2-({[(3-chlorobenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
