KKO
Summary
| Name: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
| Formula: | C23 H22 Cl2 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 505.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H22Cl2N4O3S/c1-32-21-6-7-26-13-17(21)23(31)28-8-9-29(15-4-5-18(24)19(25)11-15)20(14-28)22(30)27-12-16-3-2-10-33-16/h2-7,10-11,13,20H,8-9,12,14H2,1H3,(H,27,30)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | XAKMNISRDIXWHA-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccncc1C(=O)N2CCN([C@@H](C2)C(=O)NCc3sccc3)c4ccc(Cl)c(Cl)c4 |
| SMILES | CACTVS | 3.385 | COc1ccncc1C(=O)N2CCN([CH](C2)C(=O)NCc3sccc3)c4ccc(Cl)c(Cl)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccncc1C(=O)N2CCN([C@@H](C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccncc1C(=O)N2CCN(C(C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl |
