A1IXS
Summary
| Name: | 2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| Formula: | C16 H14 Br N3 O S |
| Formal charge: | 0 |
| Formula weight: | 376.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14BrN3OS/c17-12-4-1-10(2-5-12)7-8-19-15(21)11-3-6-13-14(9-11)22-16(18)20-13/h1-6,9H,7-8H2,(H2,18,20)(H,19,21) |
| InChIKey | InChI | 1.06 | BMEXBFSZNBTWKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Br)cc3 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Br)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Br |
