2D structurePubChem CID 25065981
Identitate
Atb-346
Nu este indicat · C21H19NO3S
01Identitate
| Lazychem ID | LC-63463 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 25065981 |
| Molecular formula | C21H19NO3S |
| Molecular weight | 365.4 g/mol |
| IUPAC name | (4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate |
| InChIKey | YCNMAPLPQYQJFC-UHFFFAOYSA-N |
02Structură și stereochimie
2D structurePubChem CID 25065981
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=S)N |
|---|---|
| InChI | Nu este indicat |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Statut în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 25065981
Structure and machine-readable chemical identifiers.