A1CWD
Summary
| Name: | N-(2-methylphenyl)-N'-[2-(pyridin-2-yl)ethyl]thiourea |
| Formula: | C15 H17 N3 S |
| Formal charge: | 0 |
| Formula weight: | 271.381 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-methylphenyl)-N'-[2-(pyridin-2-yl)ethyl]thiourea |
| OpenEye OEToolkits | 3.1.0.0 | 1-(2-methylphenyl)-3-(2-pyridin-2-ylethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccccc1NC(=S)NCCc1ccccn1 |
| InChI | InChI | 1.06 | InChI=1S/C15H17N3S/c1-12-6-2-3-8-14(12)18-15(19)17-11-9-13-7-4-5-10-16-13/h2-8,10H,9,11H2,1H3,(H2,17,18,19) |
| InChIKey | InChI | 1.06 | JVGVRAXBIGSPJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1NC(=S)NCCc2ccccn2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1NC(=S)NCCc2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1NC(=S)NCCc2ccccn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1NC(=S)NCCc2ccccn2 |
