| PDB CCD ID: | 5H |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H13 Br N2 O3 S3 |
| InChI: | InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1 |
| InChIKey: | ZUOVUVKEEZXELB-CQSZACIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3 | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br | | CACTVS 3.341 | Brc1ccc(C[C@H]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1 | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(cc3)Br | | CACTVS 3.341 | Brc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1 |
|
| Name: | 5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE |
| ZINC: | ZINC000016051793 |
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