T4J
Summary
| Name: | N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide |
| Formula: | C13 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 264.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-thiomorpholin-4-ylcarbonylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCSCC1)C(c2cccc(c2)NC(C)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16) |
| InChIKey | InChI | 1.03 | GUMMRKWNILQOGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2 |
