| SpectraBase Spectrum ID |
E3EXMIGY6n5 |
| Name |
(3RS,4RS)-3-[(2RS)-N-Benzylpiperidin-2-yl]-4-(imidazol-2-ylthiocarbonyloxy)oxepan-2-one |
| Alternate Name(s) |
O-[3-(1-benzyl-2-piperidinyl)-2-oxo-4-oxepanyl]1H-imidazole-2-carbothioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27N3O3S |
| InChI |
InChI=1S/C22H27N3O3S/c26-21-19(17-9-4-5-13-25(17)15-16-7-2-1-3-8-16)18(10-6-14-27-21)28-22(29)20-23-11-12-24-20/h1-3,7-8,11-12,17-19H,4-6,9-10,13-15H2,(H,23,24) |
| InChIKey |
MYPNSHJMYSHNPJ-UHFFFAOYSA-N |
| Molecular Weight |
413.536 g/mol |
| SMILES |
[nH]1ccnc1C(OC1C(C(OCCC1)=O)C1N(CCCC1)Cc1ccccc1)=S |
| SPLASH |
splash10-006x-9600000000-6a61f33de0441c321a4d |
| Source of Spectrum |
K1-2004-4227-42 |
| Wiley ID |
1561679 |
![(3RS,4RS)-3-[(2RS)-N-Benzylpiperidin-2-yl]-4-(imidazol-2-ylthiocarbonyloxy)oxepan-2-one](/api/spectrum/E3EXMIGY6n5/structure.png?h=300&w=458 "(3RS,4RS)-3-[(2RS)-N-Benzylpiperidin-2-yl]-4-(imidazol-2-ylthiocarbonyloxy)oxepan-2-one")
