| SpectraBase Spectrum ID |
I9LLueGB1h |
| Name |
2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.041997841 u |
| Formula |
C19H17ClN2O2S2 |
| InChI |
InChI=1S/C19H17ClN2O2S2/c20-15-11-7-4-5-9-13(11)25-16(15)18(24)22-19-14(17(21)23)10-6-2-1-3-8-12(10)26-19/h4-5,7,9H,1-3,6,8H2,(H2,21,23)(H,22,24) |
| InChIKey |
WIFXFTPYAWAYGJ-UHFFFAOYSA-N |
| Molecular Weight |
404.930 g/mol |
| SMILES |
N(C1=C(C(=O)N)C=2CCCCCC2S1)C(C=1SC=2C=CC=CC2C1Cl)=O |
![2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide](/api/spectrum/I9LLueGB1h/structure.png?h=300&w=458 "2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide")
