FTC
Summary
| Name: | N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA |
| Formula: | C15 H16 Cl F N4 O S |
| Formal charge: | 0 |
| Formula weight: | 354.83 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(5-chloropyridin-2-yl)-3-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thiourea |
| OpenEye OEToolkits | 1.5.0 | 1-(5-chloropyridin-2-yl)-3-[2-(4-ethoxy-3-fluoro-pyridin-2-yl)ethyl]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C(Nc1ncc(Cl)cc1)NCCc2nccc(OCC)c2F |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F |
| SMILES | CACTVS | 3.341 | CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C15H16ClFN4OS/c1-2-22-12-6-8-18-11(14(12)17)5-7-19-15(23)21-13-4-3-10(16)9-20-13/h3-4,6,8-9H,2,5,7H2,1H3,(H2,19,20,21,23) |
| InChIKey | InChI | 1.03 | VEBKSFPYWMOUBR-UHFFFAOYSA-N |
