| PDB CCD ID: | RO8 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C10 H7 Br Cl N3 O3 S2 |
| InChI: | InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16) |
| InChIKey: | VRHXEPNJEQXSSS-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | Clc1cccc(c1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2 | | OpenEye OEToolkits 1.6.1 | c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br | | OpenEye OEToolkits 1.6.1 | c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br | | ACDLabs 12.01 | BrC=2S/C(=N\C(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2 |
|
| Name: | N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide;
RO5062408 |
| ChEMBL: | CHEMBL595149 |
| ZINC: | ZINC000045348530 |
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