C64
Summary
| Name: | N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide |
| Formula: | C18 H13 Br N4 O S |
| Formal charge: | 0 |
| Formula weight: | 413.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1 |
| SMILES | CACTVS | 3.352 | Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4 |
| InChI | InChI | 1.03 | InChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24) |
| InChIKey | InChI | 1.03 | GUHIASUSWSGRHY-UHFFFAOYSA-N |
