VY8
Summary
| Name: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea |
| Formula: | C12 H19 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 253.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17) |
| InChIKey | InChI | 1.06 | WGGARZSAXKSVFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1NC(=S)NCCN(C)C |
| SMILES | CACTVS | 3.385 | COc1ccccc1NC(=S)NCCN(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=S)Nc1ccccc1OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=S)Nc1ccccc1OC |
