TKE
Summary
| Name: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea |
| Formula: | C15 H16 I N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 461.341 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16IN3O2S2/c16-12-3-5-13(6-4-12)19-15(22)18-10-9-11-1-7-14(8-2-11)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22) |
| InChIKey | InChI | 1.03 | JUSYUNJKOKPYPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N |
