JOP
Summary
| Name: | N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea |
| Formula: | C11 H20 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 228.354 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'-[(2R)-2-hydroxypropyl]thiourea |
| OpenEye OEToolkits | 2.0.6 | 1-[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-[(2~{R})-2-oxidanylpropyl]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C(NC(NCC(C)O)=S)C2CCC1C2 |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2OS/c1-7(14)6-12-11(15)13-10-5-8-2-3-9(10)4-8/h7-10,14H,2-6H2,1H3,(H2,12,13,15)/t7-,8+,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | XKFOGPZJONXOKW-RGOKHQFPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 |
| SMILES | CACTVS | 3.385 | C[CH](O)CNC(=S)N[CH]1C[CH]2CC[CH]1C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CNC(=S)NC1CC2CCC1C2)O |
