55D
Summary
| Name: | 2-(butanoylamino)thiophene-3-carboxamide |
| Formula: | C9 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 212.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(butanoylamino)thiophene-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 2-(butanoylamino)thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCC)Nc1sccc1C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12) |
| InChIKey | InChI | 1.03 | QFUOJZBSCYPNSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)Nc1sccc1C(N)=O |
| SMILES | CACTVS | 3.385 | CCCC(=O)Nc1sccc1C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCC(=O)Nc1c(ccs1)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC(=O)Nc1c(ccs1)C(=O)N |
