A1CU4
Summary
| Name: | N-(2,6-dimethylphenyl)-N'-[(pyridin-3-yl)methyl]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-(2,6-dimethylphenyl)-N'-[(pyridin-3-yl)methyl]thiourea |
| OpenEye OEToolkits | 3.1.0.0 | 1-(2,6-dimethylphenyl)-3-(pyridin-3-ylmethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cccc(C)c1NC(=S)NCc1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H17N3S/c1-11-5-3-6-12(2)14(11)18-15(19)17-10-13-7-4-8-16-9-13/h3-9H,10H2,1-2H3,(H2,17,18,19) |
| InChIKey | InChI | 1.06 | SNBGGOJNZMNJDZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(C)c1NC(=S)NCc2cccnc2 |
| SMILES | CACTVS | 3.385 | Cc1cccc(C)c1NC(=S)NCc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=S)NCc2cccnc2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=S)NCc2cccnc2)C |
