T6N
Summary
| Name: | 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide |
| Formula: | C13 H19 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 253.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15) |
| InChIKey | InChI | 1.03 | QMHUJMFZVOXMEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(OC(C)(C)C(=O)NCCS)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(OC(C)(C)C(=O)NCCS)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)OC(C)(C)C(=O)NCCS |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)OC(C)(C)C(=O)NCCS |
