5OT
Summary
| Name: | 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea |
| Formula: | C13 H12 I N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 433.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12IN3O2S2/c14-9-2-1-3-11(8-9)17-13(20)16-10-4-6-12(7-5-10)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20) |
| InChIKey | InChI | 1.03 | JXJJQOHWSVYHLS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N |
