WAZ
Summary
| Name: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one |
| Formula: | C18 H22 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 358.458 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22N4O2S/c1-11(2)6-13(9-24-3)20-18-21-15(17(23)22-18)7-12-4-5-14-16(8-12)25-10-19-14/h4-5,7-8,10-11,13H,6,9H2,1-3H3,(H2,20,21,22,23)/b15-7-/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | CHQYAWLKOUOTQO-QVYJARAXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@@H](CC(C)C)NC1=NC(=C\c2ccc3ncsc3c2)/C(=O)N1 |
| SMILES | CACTVS | 3.385 | COC[CH](CC(C)C)NC1=NC(=Cc2ccc3ncsc3c2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](COC)NC1=N/C(=C\c2ccc3c(c2)scn3)/C(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(COC)NC1=NC(=Cc2ccc3c(c2)scn3)C(=O)N1 |
