R2W
Summary
| Name: | 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide |
| Synonyms: | 1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea |
| Formula: | C16 H19 N3 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 365.47 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O3S2/c17-24(20,21)15-9-7-13(8-10-15)19-16(23)18-11-4-12-22-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,17,20,21)(H2,18,19,23) |
| InChIKey | InChI | 1.03 | UMQUYWSKTBKPEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=S)NCCCOc2ccccc2)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=S)NCCCOc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N |
