S3U
Summary
| Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide |
| Formula: | C24 H25 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 419.539 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H25N3O2S/c25-22(26)21-15-18(16-30-21)17-8-7-9-19(14-17)27-23(28)24(12-5-2-6-13-24)29-20-10-3-1-4-11-20/h1,3-4,7-11,14-16H,2,5-6,12-13H2,(H3,25,26)(H,27,28) |
| InChIKey | InChI | 1.06 | GDAOXESZCCHQMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccccc4)c2 |
| SMILES | CACTVS | 3.385 | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccccc4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C3(CCCCC3)Oc4ccccc4)/N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)OC2(CCCCC2)C(=O)Nc3cccc(c3)c4cc(sc4)C(=N)N |
