EWT
Summary
| Name: | 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide |
| Formula: | C15 H11 Cl2 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 352.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21) |
| InChIKey | InChI | 1.03 | JOBYYAUGFMYSBN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl |
