LSL
Summary
| Name: | N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide |
| Formula: | C13 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 262.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-oxidanyl-4-[(thiophen-3-ylmethylamino)methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ONC(=O)c1ccc(CNCc2ccsc2)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16) |
| InChIKey | InChI | 1.03 | UUYNWXQYZUGELG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1ccc(CNCc2cscc2)cc1 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(CNCc2cscc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCc2ccsc2)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCc2ccsc2)C(=O)NO |
