| PDB CCD ID: | JOP |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H20 N2 O S |
| InChI: | 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: | XKFOGPZJONXOKW-RGOKHQFPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](O)CNC(=S)N[CH]1C[CH]2CC[CH]1C2 | | OpenEye OEToolkits 2.0.6 | C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O | | OpenEye OEToolkits 2.0.6 | CC(CNC(=S)NC1CC2CCC1C2)O | | CACTVS 3.385 | C[C@@H](O)CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 | | ACDLabs 12.01 | C1C(NC(NCC(C)O)=S)C2CCC1C2 |
|
| Name: | N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea |
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