Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(SC)ccc(c1OC)C(N3CCC(Cc2ccccc2)CC3)=O |
InChI | InChI | 1.03 | InChI=1S/C21H25NO2S/c1-24-20-15-18(25-2)8-9-19(20)21(23)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3 |
InChIKey | InChI | 1.03 | OMGLGPKQUFSRNN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(SC)ccc1C(=O)N2CCC(CC2)Cc3ccccc3 |
SMILES | CACTVS | 3.385 | COc1cc(SC)ccc1C(=O)N2CCC(CC2)Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC |