Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(c(cc1)O)Sc2cc(c(cc2)C)C)C(N3Cc4c(C3)cccc4)=O |
InChI | InChI | 1.03 | InChI=1S/C23H21NO2S/c1-15-7-9-20(11-16(15)2)27-22-12-17(8-10-21(22)25)23(26)24-13-18-5-3-4-6-19(18)14-24/h3-12,25H,13-14H2,1-2H3 |
InChIKey | InChI | 1.03 | AXEQZLWHIYQNKM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3)cc1C |
SMILES | CACTVS | 3.385 | Cc1ccc(Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3)cc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3 |