ZPB
Summary
| Name: | N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
| Formula: | C13 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 281.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-propan-2-yl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NC(C)C)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18) |
| InChIKey | InChI | 1.06 | HUNNMXFWKHWRFU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)N1CCN(CC1)C(=O)c2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)N1CCN(CC1)C(=O)c2cccs2 |
