A1EC5
Summary
| Name: | ~{N}-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)propanamide |
| Formula: | C20 H20 F N5 O3 S3 |
| Formal charge: | 0 |
| Formula weight: | 493.598 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20FN5O3S3/c1-2-18-24-25-20(31-18)26-32(28,29)16-10-8-15(9-11-16)22-19(30)23-17(27)12-5-13-3-6-14(21)7-4-13/h3-4,6-11H,2,5,12H2,1H3,(H,25,26)(H2,22,23,27,30) |
| InChIKey | InChI | 1.06 | LBICUQJQZKBWIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(N[S](=O)(=O)c2ccc(NC(=S)NC(=O)CCc3ccc(F)cc3)cc2)nn1 |
| SMILES | CACTVS | 3.385 | CCc1sc(N[S](=O)(=O)c2ccc(NC(=S)NC(=O)CCc3ccc(F)cc3)cc2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)CCc3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)CCc3ccc(cc3)F |
