A1IXO
Summary
| Name: | 2-azanyl-~{N}-[2-(3,4-dichlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| Formula: | C16 H13 Cl2 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 366.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-~{N}-[2-(3,4-dichlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13Cl2N3OS/c17-11-3-1-9(7-12(11)18)5-6-20-15(22)10-2-4-13-14(8-10)23-16(19)21-13/h1-4,7-8H,5-6H2,(H2,19,21)(H,20,22) |
| InChIKey | InChI | 1.06 | LRVHLUOWNBPOQG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Cl)c(Cl)c3 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Cl)c(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl |
