QL9
Summary
| Name: | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
| Formula: | C11 H12 Br N O2 S |
| Formal charge: | 0 |
| Formula weight: | 302.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H12BrNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3 |
| InChIKey | InChI | 1.06 | YFMWQGAVWWMYCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCS)C(=O)c1ccc(C=O)c(Br)c1 |
| SMILES | CACTVS | 3.385 | CN(CCS)C(=O)c1ccc(C=O)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(CCS)C(=O)c1ccc(c(c1)Br)C=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(CCS)C(=O)c1ccc(c(c1)Br)C=O |
