| PDB CCD ID: | 3IR |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H12 N2 O S |
| InChI: | InChI=1S/C13H12N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,14,15,16)/t10-,11+/m0/s1 |
| InChIKey: | ZOOMNALRJFPRHO-WDEREUQCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3 | | CACTVS 3.385 | O=C(Nc1sccn1)[C@@H]2C[C@H]2c3ccccc3 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2CC2C(=O)Nc3nccs3 | | CACTVS 3.385 | O=C(Nc1sccn1)[CH]2C[CH]2c3ccccc3 |
|
| Name: | (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide;
((1R,2R)-2-Phenyl-N-(1,3-thiazol-2-yl) cyclopropanecarboxamide |
| ZINC: | ZINC000000196534 |
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