| SpectraBase Spectrum ID |
8L2cJ1VJXGg |
| Name |
Propyl 2-[3-(1-adamantylcarbonyl)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 |
460.185435243 u |
| Formula |
C24H32N2O3S2 |
| InChI |
InChI=1S/C24H32N2O3S2/c1-2-7-29-21(27)19-17-5-3-4-6-18(17)31-20(19)25-23(30)26-22(28)24-11-14-8-15(12-24)10-16(9-14)13-24/h14-16H,2-13H2,1H3,(H2,25,26,28,30)/t14-,15+,16-,24- |
| InChIKey |
NXOVSKBHCUNGEF-FNTHXKTLSA-N |
| Molecular Weight |
460.651 g/mol |
| SMILES |
C1(=C(C=2CCCCC2S1)C(=O)OCCC)NC(=S)NC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
![Propyl 2-[3-(1-adamantylcarbonyl)thioureido]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate](/api/spectrum/8L2cJ1VJXGg/structure.png?h=300&w=458 "Propyl 2-[3-(1-adamantylcarbonyl)thioureido]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate")
