0I2
Summary
| Name: | (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide |
| Formula: | C19 H23 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 357.47 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23N3O2S/c20-18(21)16-11-15(13-5-2-1-3-6-13)17(25-16)12-22-19(23)14-7-4-9-24-10-8-14/h1-3,5-6,11,14H,4,7-10,12H2,(H3,20,21)(H,22,23)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | PNAIELPBQAVLCK-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(CNC(=O)[C@H]2CCCOCC2)c(c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(CNC(=O)[CH]2CCCOCC2)c(c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc(c(s1)CNC(=O)[C@H]2CCCOCC2)c3ccccc3)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(sc2CNC(=O)C3CCCOCC3)C(=N)N |
