W6R
Summary
| Name: | N-[(thiophen-2-yl)methyl]butanamide |
| Formula: | C9 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 183.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(thiophen-2-yl)methyl]butanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(thiophen-2-ylmethyl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1cccs1)CCC |
| InChI | InChI | 1.06 | InChI=1S/C9H13NOS/c1-2-4-9(11)10-7-8-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | GQINGVFITOTQOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)NCc1sccc1 |
| SMILES | CACTVS | 3.385 | CCCC(=O)NCc1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)NCc1cccs1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)NCc1cccs1 |
