| SpectraBase Spectrum ID |
5HTKBoqbqTe |
| Name |
Ethyl 2-(3-(naphthalen-2-yl)thioureido)-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.112270302 u |
| Formula |
C22H22N2O2S2 |
| InChI |
InChI=1S/C22H22N2O2S2/c1-2-26-21(25)19-17-9-5-6-10-18(17)28-20(19)24-22(27)23-16-12-11-14-7-3-4-8-15(14)13-16/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H2,23,24,27) |
| InChIKey |
SPADDNTWJNKDNW-UHFFFAOYSA-N |
| Molecular Weight |
410.550 g/mol |
| SMILES |
C1(=C(C=2CCCCC2S1)C(=O)OCC)NC(NC1=CC2=CC=CC=C2C=C1)=S |
![Ethyl 2-(3-(naphthalen-2-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate](/api/spectrum/5HTKBoqbqTe/structure.png?h=300&w=458 "Ethyl 2-(3-(naphthalen-2-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate")
