| SpectraBase Spectrum ID |
BQA1l4mxznD |
| Name |
4-[2-(1-adamantyloxy)ethylthiocarbamoylamino]benzoic acid ethyl ester |
| Alternate Name(s) |
4-[[[2-(1-adamantyloxy)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
Ethyl 4-[2-(1-adamantyloxy)ethylcarbamothioylamino]benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30N2O3S |
| InChI |
InChI=1S/C22H30N2O3S/c1-2-26-20(25)18-3-5-19(6-4-18)24-21(28)23-7-8-27-22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H2,23,24,28)/t15-,16+,17-,22- |
| InChIKey |
QHWZOXOVJLOLHS-OMOYSXNNSA-N |
| Molecular Weight |
402.553 g/mol |
| SMILES |
N(C(Nc1ccc(C(=O)OCC)cc1)=S)CCOC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| SPLASH |
splash10-000i-7920000000-2772f709dbf21b5fae29 |
| Wiley ID |
1464516 |
![4-[2-(1-adamantyloxy)ethylthiocarbamoylamino]benzoic acid ethyl ester](/api/spectrum/BQA1l4mxznD/structure.png?h=300&w=458 "4-[2-(1-adamantyloxy)ethylthiocarbamoylamino]benzoic acid ethyl ester")
