9JT
Summary
| Name: | N-phenyl-2-selanylbenzamide |
| Synonyms: | ~{N}-phenyl-2-selanyl-benzamide Ebselen, bound form |
| Formula: | C13 H11 N O Se |
| Formal charge: | 0 |
| Formula weight: | 276.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-phenyl-2-selanylbenzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-phenyl-2-selanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1)c1ccccc1[SeH] |
| InChI | InChI | 1.06 | InChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15) |
| InChIKey | InChI | 1.06 | PVPUYGNPKBMXGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [SeH]c1ccccc1C(=O)Nc2ccccc2 |
| SMILES | CACTVS | 3.385 | [SeH]c1ccccc1C(=O)Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)c2ccccc2[SeH] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)c2ccccc2[SeH] |
