Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(ccc(NC(=O)c1cccs1)cc2)N(C(=O)Cn4c3c(cccc3)nn4)Cc5cscc5 |
InChI | InChI | 1.03 | InChI=1S/C24H19N5O2S2/c30-23(15-29-21-5-2-1-4-20(21)26-27-29)28(14-17-11-13-32-16-17)19-9-7-18(8-10-19)25-24(31)22-6-3-12-33-22/h1-13,16H,14-15H2,(H,25,31) |
InChIKey | InChI | 1.03 | HQQZSZFMWLZVJI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)c5sccc5)cc4 |
SMILES | CACTVS | 3.385 | O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)c5sccc5)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5 |