1H9
Summary
| Name: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one |
| Formula: | C18 H12 Br N O2 S |
| Formal charge: | 0 |
| Formula weight: | 386.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H12BrNO2S/c19-12-3-1-2-11(8-12)10-22-13-4-5-14-16(9-13)15-6-7-23-18(15)20-17(14)21/h1-9H,10H2,(H,20,21) |
| InChIKey | InChI | 1.03 | YIOCXMXACLICDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1 |
| SMILES | CACTVS | 3.385 | Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O |
