K65
Summary
| Name: | ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide |
| Formula: | C14 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 271.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3OS/c1-2-13(18)17-11-6-4-3-5-10(11)9-7-12(14(15)16)19-8-9/h2-8H,1H2,(H3,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | FAZZESJAJBOANK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1scc(c1)c2ccccc2NC(=O)C=C |
| SMILES | CACTVS | 3.385 | NC(=N)c1scc(c1)c2ccccc2NC(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc(cs1)c2ccccc2NC(=O)C=C)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1ccccc1c2cc(sc2)C(=N)N |
