GE8
Summary
| Name: | 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide |
| Formula: | C13 H18 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 287.806 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H18ClNO2S/c1-13(2,12(16)15-8-3-9-18)17-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | NOEIHAKSVWIMBY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS |
| SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl |
