Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C2=Nc1sccc1C(=O)N2)NCc3cccc(OC)c3 |
InChI | InChI | 1.03 | InChI=1S/C15H13N3O3S/c1-21-10-4-2-3-9(7-10)8-16-14(20)12-17-13(19)11-5-6-22-15(11)18-12/h2-7H,8H2,1H3,(H,16,20)(H,17,18,19) |
InChIKey | InChI | 1.03 | JBLVGKQIAQNLEM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(CNC(=O)C2=Nc3sccc3C(=O)N2)c1 |
SMILES | CACTVS | 3.370 | COc1cccc(CNC(=O)C2=Nc3sccc3C(=O)N2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2 |