NUY
Summary
| Name: | [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone |
| Formula: | C12 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 238.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone |
| OpenEye OEToolkits | 2.0.6 | (4-propan-2-ylpiperazin-1-yl)-thiophen-2-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C(C)C)CCN(CC1)C(c2cccs2)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3 |
| InChIKey | InChI | 1.03 | ZEVVAPJSMUTCRY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | CC(C)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)N1CCN(CC1)C(=O)c2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)N1CCN(CC1)C(=O)c2cccs2 |
