A1ABG
Summary
| Name: | N-benzyl-N'-methyl-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 | 12.01 | N-benzyl-N'-methyl-N-[(pyridin-3-yl)methyl]thiourea |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(=S)N(Cc1ccccc1)Cc1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H17N3S/c1-16-15(19)18(11-13-6-3-2-4-7-13)12-14-8-5-9-17-10-14/h2-10H,11-12H2,1H3,(H,16,19) |
| InChIKey | InChI | 1.06 | DSMRJWBOXYJVMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=S)N(Cc1ccccc1)Cc2cccnc2 |
| SMILES | CACTVS | 3.385 | CNC(=S)N(Cc1ccccc1)Cc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=S)N(Cc1ccccc1)Cc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=S)N(Cc1ccccc1)Cc2cccnc2 |
