Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C2=CC(=O)N1C(=C(C)SC1=N2)C(=O)NC)N(CC)c3ccc(cc3)F |
InChI | InChI | 1.03 | InChI=1S/C18H19FN4O2S/c1-4-22(14-7-5-12(19)6-8-14)10-13-9-15(24)23-16(17(25)20-3)11(2)26-18(23)21-13/h5-9H,4,10H2,1-3H3,(H,20,25) |
InChIKey | InChI | 1.03 | QUGAOEHDZBIECQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC1=CC(=O)N2C(=N1)SC(=C2C(=O)NC)C)c3ccc(F)cc3 |
SMILES | CACTVS | 3.385 | CCN(CC1=CC(=O)N2C(=N1)SC(=C2C(=O)NC)C)c3ccc(F)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F |
SMILES | OpenEye OEToolkits | 2.0.4 | CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F |