VXK
Summary
| Name: | 5-bromo-N-propylthiophene-3-carboxamide |
| Formula: | C8 H10 Br N O S |
| Formal charge: | 0 |
| Formula weight: | 248.14 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-N-propylthiophene-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-~{N}-propyl-thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC)c1csc(Br)c1 |
| InChI | InChI | 1.06 | InChI=1S/C8H10BrNOS/c1-2-3-10-8(11)6-4-7(9)12-5-6/h4-5H,2-3H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | WVFORFDVRAXIRI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=O)c1csc(Br)c1 |
| SMILES | CACTVS | 3.385 | CCCNC(=O)c1csc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)c1cc(sc1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)c1cc(sc1)Br |
