| PDB CCD ID: | 8E1 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C16 H12 N4 O3 S2 |
| InChI: | InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7- |
| InChIKey: | LTYGAJVXAFJKSY-XFFZJAGNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1cc(ccc1NC=C2c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1 | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(N\C=C\2C(=O)Nc3ccc4ncsc4c\23)cc1 | | OpenEye OEToolkits 2.0.6 | c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N | | ACDLabs 12.01 | c1cc(ccc1S(=O)(=O)N)N\C=C4\c2c(ccc3ncsc23)NC4=O |
|
| Name: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide |
| ChEMBL: | CHEMBL271595 |
| ZINC: | ZINC000013470481 |
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