ZHF
Summary
| Name: | N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide |
| Formula: | C23 H26 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 422.543 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)-1-oxidanylidene-pentan-2-yl]-3-(imidazol-1-ylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCC(NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N1CCc2sccc2C1 |
| InChI | InChI | 1.06 | InChI=1S/C23H26N4O2S/c1-2-4-20(23(29)27-10-7-21-19(15-27)8-12-30-21)25-22(28)18-6-3-5-17(13-18)14-26-11-9-24-16-26/h3,5-6,8-9,11-13,16,20H,2,4,7,10,14-15H2,1H3,(H,25,28)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | DUKKJDZKLSMCLK-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N3CCc4sccc4C3 |
| SMILES | CACTVS | 3.385 | CCC[CH](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N3CCc4sccc4C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@@H](C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cccc(c3)Cn4ccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cccc(c3)Cn4ccnc4 |
