E3J
Summary
| Name: | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide |
| Formula: | C13 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 266.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16) |
| InChIKey | InChI | 1.06 | ZLDHBHAHQHKIKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Sc1ccccc1C(=O)NCCN2CCOCC2 |
| SMILES | CACTVS | 3.385 | Sc1ccccc1C(=O)NCCN2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)NCCN2CCOCC2)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)NCCN2CCOCC2)S |
