Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCSc1ccccc1NC(=O)CC(C)N1Cc2ccccc2C1=O |
InChI | InChI | 1.06 | InChI=1S/C20H22N2O2S/c1-3-25-18-11-7-6-10-17(18)21-19(23)12-14(2)22-13-15-8-4-5-9-16(15)20(22)24/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)/t14-/m1/s1 |
InChIKey | InChI | 1.06 | FIHKSVOKNUVXAB-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCSc1ccccc1NC(=O)C[C@@H](C)N2Cc3ccccc3C2=O |
SMILES | CACTVS | 3.385 | CCSc1ccccc1NC(=O)C[CH](C)N2Cc3ccccc3C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCSc1ccccc1NC(=O)C[C@@H](C)N2Cc3ccccc3C2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCSc1ccccc1NC(=O)CC(C)N2Cc3ccccc3C2=O |