A1BGM
Summary
| Name: | 3-chloro-5-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
| Formula: | C18 H25 Cl N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 396.935 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-chloro-5-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
| OpenEye OEToolkits | 3.1.0.0 | 3-chloranyl-5-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylamino]-~{N}-(2-methyl-1-oxidanyl-propan-2-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)Cc1nc(CNc2cc(cc(Cl)c2)C(=O)NC(C)(C)CO)cs1 |
| InChI | InChI | 1.06 | InChI=1S/C18H25ClN4O2S/c1-18(2,11-24)22-17(25)12-5-13(19)7-14(6-12)20-8-15-10-26-16(21-15)9-23(3)4/h5-7,10,20,24H,8-9,11H2,1-4H3,(H,22,25) |
| InChIKey | InChI | 1.06 | HTINJLWXAVBVIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1scc(CNc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO)n1 |
| SMILES | CACTVS | 3.385 | CN(C)Cc1scc(CNc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NCc2csc(n2)CN(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NCc2csc(n2)CN(C)C |
