| PDB CCD ID: | NX2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H11 Cl2 N O3 S3 |
| InChI: | InChI=1S/C13H11Cl2NO3S3/c1-22(18,19)16-13(17)12-11(4-5-20-12)21-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,17) |
| InChIKey: | WUCGCEYWGIIVMD-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=S(=O)(NC(=O)c2sccc2SCc1cc(Cl)c(Cl)cc1)C | | OpenEye OEToolkits 1.7.0 | CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl | | CACTVS 3.370 | C[S](=O)(=O)NC(=O)c1sccc1SCc2ccc(Cl)c(Cl)c2 |
|
| Name: | 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide |
| ChEMBL: | CHEMBL1910886 |
| ZINC: | ZINC000073129300 |
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