Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 |
InChIKey | InChI | 1.03 | XRKYMMUGXMWDAO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5 |
SMILES | CACTVS | 3.385 | O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5 |