| PDB CCD ID: | 78W |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H13 Cl2 F N2 O2 S |
| InChI: | InChI=1S/C17H13Cl2FN2O2S/c1-10(23)9-25-17(21-12-7-5-11(18)6-8-12)22-16(24)15-13(19)3-2-4-14(15)20/h2-8H,9H2,1H3,(H,21,22,24) |
| InChIKey: | WKKVCWKOLYDIGO-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)CSC(NC(=O)c1c(F)cccc1Cl)=Nc2ccc(Cl)cc2 | | OpenEye OEToolkits 2.0.5 | CC(=O)CSC(=Nc1ccc(cc1)Cl)NC(=O)c2c(cccc2Cl)F | | OpenEye OEToolkits 2.0.5 | CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F |
|
| Name: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate |
| ZINC: | ZINC000013467764 |
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