W00
Summary
| Name: | 2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide |
| Formula: | C10 H11 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 242.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(F)cc1)CSCC(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15) |
| InChIKey | InChI | 1.06 | XIWFXWLWDYFVFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CSCC(=O)Nc1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | NC(=O)CSCC(=O)Nc1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)CSCC(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)CSCC(=O)N)F |
