G8T
Summary
| Name: | (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol |
| Formula: | C17 H21 N O S |
| Formal charge: | 0 |
| Formula weight: | 287.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21NOS/c1-17(16(19)18-12-13-20,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-20H,12-13H2,1H3/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | KDPCPEKIGGUZRH-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC([C@H](O)NCCS)(c1ccccc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC([CH](O)NCCS)(c1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccccc1)(c2ccccc2)C(NCCS)O |
