5LQ
Summary
| Name: | 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine |
| Formula: | C17 H22 Cl N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 383.893 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22ClN3O3S/c1-13-16(14-4-2-5-15(18)12-14)25(22,23)20-17(13)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | JWMPLVBGKAZGQA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3 |
| SMILES | CACTVS | 3.385 | CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl |
