A1CV7
Summary
| Name: | 1-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethan-1-one |
| Formula: | C11 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 224.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)c1ccc(s1)N1CCN(C)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2OS/c1-9(14)10-3-4-11(15-10)13-7-5-12(2)6-8-13/h3-4H,5-8H2,1-2H3 |
| InChIKey | InChI | 1.06 | BLQHZDIATBOGFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2sc(cc2)C(C)=O |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2sc(cc2)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(s1)N2CCN(CC2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(s1)N2CCN(CC2)C |
