Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2(=O)N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C20H18N4OS/c1-14(15-9-5-3-6-10-15)26-20-22-18-17(13-21-23(18)2)19(25)24(20)16-11-7-4-8-12-16/h3-14H,1-2H3/t14-/m1/s1 |
InChIKey | InChI | 1.03 | JNPNRKXZLIGUCT-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 |