Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C5(N(c4cc(C1(CC1)S(C)(=N)=O)nc(c3cccc2c3cccc2)n4)CCOC5)C |
InChI | InChI | 1.03 | InChI=1S/C23H26N4O2S/c1-16-15-29-13-12-27(16)21-14-20(23(10-11-23)30(2,24)28)25-22(26-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,14,16,24H,10-13,15H2,1-2H3/t16-,30-/m1/s1 |
InChIKey | InChI | 1.03 | GOXNOBRASUTVOC-XHDOVSQSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4ccccc34)C5(CC5)[S@](C)(=N)=O |
SMILES | CACTVS | 3.385 | C[CH]1COCCN1c2cc(nc(n2)c3cccc4ccccc34)C5(CC5)[S](C)(=N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)[S@](=N)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)S(=N)(=O)C |