A1IKY
Summary
| Name: | ~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidine-2-carboxamide |
| Formula: | C20 H26 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 418.51 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26N4O4S/c25-18(22-27)6-2-1-5-13-28-23-19(26)20-21-17(14-29-20)15-7-9-16(10-8-15)24-11-3-4-12-24/h7-10,14,27H,1-6,11-13H2,(H,22,25)(H,23,26) |
| InChIKey | InChI | 1.06 | KBLCAMIJGLOLHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)CCCCCONC(=O)c1scc(n1)c2ccc(cc2)N3CCCC3 |
| SMILES | CACTVS | 3.385 | ONC(=O)CCCCCONC(=O)c1scc(n1)c2ccc(cc2)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc(n2)C(=O)NOCCCCCC(=O)NO)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc(n2)C(=O)NOCCCCCC(=O)NO)N3CCCC3 |
