K8R
Summary
| Name: | ~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide |
| Formula: | C21 H24 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 396.506 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N4O2S/c26-20(22-9-4-10-25-11-13-27-14-12-25)19-15-28-21(24-19)23-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2,(H,22,26)(H,23,24) |
| InChIKey | InChI | 1.06 | HIQHZLNHPUDXQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCN1CCOCC1)c2csc(Nc3cccc4ccccc34)n2 |
| SMILES | CACTVS | 3.385 | O=C(NCCCN1CCOCC1)c2csc(Nc3cccc4ccccc34)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2Nc3nc(cs3)C(=O)NCCCN4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2Nc3nc(cs3)C(=O)NCCCN4CCOCC4 |
