| PDB CCD ID: | BQH |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H14 N4 O2 S |
| InChI: | InChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1 |
| InChIKey: | AESXBAWWRWZMPF-ZETCQYMHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2 | | CACTVS 3.385 | CC(=O)c1csc(NC(=O)[C@@H]2CNCCN2)n1 | | CACTVS 3.385 | CC(=O)c1csc(NC(=O)[CH]2CNCCN2)n1 | | OpenEye OEToolkits 2.0.6 | CC(=O)c1csc(n1)NC(=O)C2CNCCN2 |
|
| Name: | (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide |
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