SpectraBase Spectrum ID |
1fZD9CZVpvb |
Name |
N-[2-(1-Adamantyl)ethyl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
386.148655812 u |
Formula |
C21H26N2OS2 |
InChI |
InChI=1S/C21H26N2OS2/c24-19(13-25-20-23-17-3-1-2-4-18(17)26-20)22-6-5-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,5-13H2,(H,22,24)/t14-,15+,16-,21+ |
InChIKey |
ZRYNLBZJWGTABB-BSZHMFSPSA-N |
Molecular Weight |
386.572 g/mol |
SMILES |
C1(=NC=2C=CC=CC2S1)SCC(=O)NCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |