| PDB CCD ID: | RI1 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H14 Cl N3 O3 S |
| InChI: | InChI=1S/C18H14ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h1-8,10,15,21H,9H2,(H,22,23)/t15-/m1/s1 |
| InChIKey: | DEOCOIVMHQCEOX-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNS(=O)(=O)c4c3cc(cc4)Cl | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C3CNS(=O)(=O)c4c3cc(cc4)Cl | | ACDLabs 12.01 | Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21 | | CACTVS 3.385 | Clc1ccc2c(c1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4ccccc34 | | CACTVS 3.385 | Clc1ccc2c(c1)[C@@H](CN[S]2(=O)=O)C(=O)Nc3cncc4ccccc34 |
|
| Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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