| PDB CCD ID: | RV0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H18 Cl N3 O3 S |
| InChI: | InChI=1S/C20H18ClN3O3S/c1-2-20(12-23-28(26,27)18-8-7-14(21)9-16(18)20)19(25)24-17-11-22-10-13-5-3-4-6-15(13)17/h3-11,23H,2,12H2,1H3,(H,24,25)/t20-/m1/s1 |
| InChIKey: | MYVKMPCLLUQWHY-HXUWFJFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 | | CACTVS 3.385 | CC[C@]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 | | OpenEye OEToolkits 2.0.7 | CCC1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | | ACDLabs 12.01 | Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)Nc1cncc2ccccc21 | | OpenEye OEToolkits 2.0.7 | CC[C@]1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
|
| Name: | (4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
