| SpectraBase Spectrum ID |
1LQnAi66COL |
| Name |
1-Piperidinecarbothioamide, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-ylidene)-N-methyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.122296594 u |
| Formula |
C21H22ClN3S |
| InChI |
InChI=1S/C21H22ClN3S/c1-23-21(26)25-11-8-14(9-12-25)19-18-7-6-17(22)13-16(18)5-4-15-3-2-10-24-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3,(H,23,26) |
| InChIKey |
AIXTVTZMPFQESK-UHFFFAOYSA-N |
| Molecular Weight |
383.941 g/mol |
| SMILES |
N(C(N1CCC(=C2C3=C(C=C(C=C3)Cl)CCC3=C2N=CC=C3)CC1)=S)C |
![1-piperidinecarbothioamide, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-N-methyl-](/api/spectrum/1LQnAi66COL/structure.png?h=300&w=458 "1-piperidinecarbothioamide, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-N-methyl-")
