I00
Summary
| Name: | ~{N}-(oxan-4-yl)-5-(3-oxidanylidenepropyl)thiophene-3-carboxamide |
| Synonyms: | TAK-418 derivertive |
| Formula: | C13 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 267.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(oxan-4-yl)-5-(3-oxidanylidenepropyl)thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO3S/c15-5-1-2-12-8-10(9-18-12)13(16)14-11-3-6-17-7-4-11/h5,8-9,11H,1-4,6-7H2,(H,14,16) |
| InChIKey | InChI | 1.03 | AYXNENHDYPBMFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=CCCc1scc(c1)C(=O)NC2CCOCC2 |
| SMILES | CACTVS | 3.385 | O=CCCc1scc(c1)C(=O)NC2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(csc1CCC=O)C(=O)NC2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(csc1CCC=O)C(=O)NC2CCOCC2 |
