KM8
Summary
| Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide |
| Formula: | C14 H15 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 273.353 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3OS/c1-2-13(18)17-11-5-3-4-9(6-11)10-7-12(14(15)16)19-8-10/h3-8H,2H2,1H3,(H3,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | GPXOTALYBUCFOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2csc(c2)C(N)=N |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2csc(c2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)CC)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N |
