| PDB CCD ID: | UHJ |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H14 N4 O3 S2 |
| InChI: | InChI=1S/C16H14N4O3S2/c1-25(22,23)20-13-4-2-11(3-5-13)12-6-10(8-18-9-12)7-14-15(21)19-16(17)24-14/h2-9,20H,1H3,(H2,17,19,21)/b14-7- |
| InChIKey: | AGHDPPGOJJYURV-AUWJEWJLSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C(S3)=N)(=O)=O | | OpenEye OEToolkits 2.0.7 | [H]/N=C/1\NC(=O)/C(=C/c2cc(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1 | | CACTVS 3.385 | C[S](=O)(=O)Nc1ccc(cc1)c2cncc(C=C3SC(=N)NC3=O)c2 | | CACTVS 3.385 | C[S](=O)(=O)Nc1ccc(cc1)c2cncc(/C=C/3SC(=N)NC/3=O)c2 | | OpenEye OEToolkits 2.0.7 | CS(=O)(=O)Nc1ccc(cc1)c2cc(cnc2)C=C3C(=O)NC(=N)S3 |
|
| Name: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide |
| ChEMBL: | CHEMBL4436648 |
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