Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NS(=O)(=O)c1ccc(cc1)N\C=C2/C(=O)Nc4c2c3scnc3cc4)C |
InChI | InChI | 1.03 | InChI=1S/C18H14N4O4S2/c1-10(23)22-28(25,26)12-4-2-11(3-5-12)19-8-13-16-14(21-18(13)24)6-7-15-17(16)27-9-20-15/h2-9,19H,1H3,(H,21,24)(H,22,23)/b13-8- |
InChIKey | InChI | 1.03 | HSTYENZAXRTDNP-JYRVWZFOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1 |
SMILES | CACTVS | 3.370 | CC(=O)N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(=O)NS(=O)(=O)c1ccc(cc1)NC=C2c3c(ccc4c3scn4)NC2=O |