IK1
Summary
| Name: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE |
| Formula: | C12 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 261.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(carbamoylamino)-5-phenylthiophene-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 2-(aminocarbonylamino)-5-phenyl-thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1sc(cc1C(=O)N)c2ccccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17) |
| InChIKey | InChI | 1.03 | PSVUSJKZJQMCSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)Nc1sc(cc1C(N)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NC(=O)Nc1sc(cc1C(N)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N |
