A1AXH
Summary
| Name: | N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-methylthiourea |
| Formula: | C9 H16 N2 S |
| Formal charge: | 0 |
| Formula weight: | 184.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-methylthiourea |
| OpenEye OEToolkits | 2.0.7 | 1-[(1~{S},2~{R},4~{R})-2-bicyclo[2.2.1]heptanyl]-3-methyl-thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(=S)NC1CC2CCC1C2 |
| InChI | InChI | 1.06 | InChI=1S/C9H16N2S/c1-10-9(12)11-8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.06 | RCPRDNHLNDSTGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=S)N[C@@H]1C[C@@H]2CC[C@H]1C2 |
| SMILES | CACTVS | 3.385 | CNC(=S)N[CH]1C[CH]2CC[CH]1C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=S)N[C@@H]1C[C@@H]2CC[C@H]1C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=S)NC1CC2CCC1C2 |
