Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O |
InChI | InChI | 1.06 | InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21) |
InChIKey | InChI | 1.06 | UNUUEHGQHLOCFZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3ccccc3 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCCc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCCc3ccccc3 |