WAK
Summary
| Name: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one |
| Formula: | C21 H22 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 378.491 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21- |
| InChIKey | InChI | 1.06 | HEVBCYZPXGZFGS-KDBINBPISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C\1NC(=NC\1=C\c2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5 |
| SMILES | CACTVS | 3.385 | O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1/C=C\3/C(=O)NC(=N3)NC45CC6CC(C4)CC(C6)C5)scn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C=C3C(=O)NC(=N3)NC45CC6CC(C4)CC(C6)C5)scn2 |
