Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccccc1c2sc(nn2)NC(=O)c5sc3c(cc4c(n3)CCCCC4)c5N |
InChI | InChI | 1.03 | InChI=1S/C21H19N5OS2/c22-16-14-11-13-9-5-2-6-10-15(13)23-20(14)28-17(16)18(27)24-21-26-25-19(29-21)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,22H2,(H,24,26,27) |
InChIKey | InChI | 1.03 | FGRXYHXHXBKKAK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4sc(nn4)c5ccccc5 |
SMILES | CACTVS | 3.385 | Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4sc(nn4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N |