T6W
Summary
| Name: | 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
| Formula: | C12 H16 Cl N2 O4 S |
| Formal charge: | 1 |
| Formula weight: | 319.784 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-chloranyl-4-[2-methyl-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]oxy-phenyl]-oxidanyl-oxidanylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2-,14,16,17,18,20)/p+1 |
| InChIKey | InChI | 1.03 | PHBDFVDEJDSKGW-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS |
| SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O |
