4UJ
Summary
| Name: | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide |
| Formula: | C16 H11 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 314.789 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide |
| OpenEye OEToolkits | 1.9.2 | 2-chloranyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc(Cl)c(C(Nc1scc(n1)c2ccccc2)=O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClN2OS/c17-13-9-5-4-8-12(13)15(20)19-16-18-14(10-21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20) |
| InChIKey | InChI | 1.03 | FXJFKYBQUTVGOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1C(=O)Nc2scc(n2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1C(=O)Nc2scc(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl |
