GQW
Summary
| Name: | ~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide |
| Formula: | C16 H11 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 346.788 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20) |
| InChIKey | InChI | 1.03 | FRUVCGVXUWSDQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO |
