ZLI
Summary
| Name: | ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide |
| Formula: | C14 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 245.34 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.06 | CWLVAWNDMFRWPI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CNC(=O)Cc2sccc2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CNC(=O)Cc2sccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)Cc2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)Cc2cccs2 |
