Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c51c4c(ccc1)C(N(CCC=3N(c2ccccc2)C(=S)NN=3)C(c4ccc5)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C22H16N4O2S/c27-20-16-10-4-6-14-7-5-11-17(19(14)16)21(28)25(20)13-12-18-23-24-22(29)26(18)15-8-2-1-3-9-15/h1-11H,12-13H2,(H,24,29) |
InChIKey | InChI | 1.03 | AYAUBWSUZRFVQO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(CCC2=NNC(=S)N2c3ccccc3)C(=O)c4cccc5cccc1c45 |
SMILES | CACTVS | 3.385 | O=C1N(CCC2=NNC(=S)N2c3ccccc3)C(=O)c4cccc5cccc1c45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O |