| PDB CCD ID: | A1H7T |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H18 N4 O3 S2 |
| InChI: | InChI=1S/C16H18N4O3S2/c1-11-15(21)19(2)7-8-20(11)16-14(18-10-24-16)25(22,23)13-6-4-3-5-12(13)9-17/h3-6,11,18H,7-8,10H2,1-2H3/t11-/m1/s1 |
| InChIKey: | HLDSSZGQRKEKAO-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1C(=O)N(CCN1C2=C(NCS2)S(=O)(=O)c3ccccc3C#N)C | | OpenEye OEToolkits 2.0.7 | C[C@@H]1C(=O)N(CCN1C2=C(NCS2)S(=O)(=O)c3ccccc3C#N)C | | CACTVS 3.385 | C[CH]1N(CCN(C)C1=O)C2=C(NCS2)[S](=O)(=O)c3ccccc3C#N | | CACTVS 3.385 | C[C@H]1N(CCN(C)C1=O)C2=C(NCS2)[S](=O)(=O)c3ccccc3C#N |
|
| Name: | 2-[[5-[(2~{R})-2,4-dimethyl-3-oxidanylidene-piperazin-1-yl]-2,3-dihydro-1,3-thiazol-4-yl]sulfonyl]benzenecarbonitrile |
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