| PDB CCD ID: | E18 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H18 N2 O4 S2 |
| InChI: | InChI=1S/C12H18N2O4S2/c1-14(2)8-9-19-12(13-18-20(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16,17)/b13-12- |
| InChIKey: | AJWBDCAFLSUABV-SEYXRHQNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 | | ACDLabs 10.04 | O=S(=O)(O)O\N=C(/SCCN(C)C)Cc1ccccc1 | | OpenEye OEToolkits 1.6.1 | CN(C)CCSC(=NOS(=O)(=O)O)Cc1ccccc1 | | CACTVS 3.352 | CN(C)CCSC(Cc1ccccc1)=NO[S](O)(=O)=O | | CACTVS 3.352 | CN(C)CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O |
|
| Name: | 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE |
| ZINC: | ZINC000058649997 |
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