Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)Nc4nccc(c3sc(nc3c2cc(ccc2)C)CC)c4 |
InChI | InChI | 1.03 | InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28) |
InChIKey | InChI | 1.03 | HEKAIDKUDLCBRU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(c2ccnc(NC(=O)c3ccccc3)c2)c(n1)c4cccc(C)c4 |
SMILES | CACTVS | 3.385 | CCc1sc(c2ccnc(NC(=O)c3ccccc3)c2)c(n1)c4cccc(C)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C |