Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2c1sc(cc1c(nc2)N)c4ccc(N3CCOCC3)cc4)NC |
InChI | InChI | 1.03 | InChI=1S/C19H20N4O2S/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24) |
InChIKey | InChI | 1.03 | JNNQSTULXLHQBB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)N4CCOCC4 |
SMILES | CACTVS | 3.370 | CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N |
SMILES | OpenEye OEToolkits | 1.7.2 | CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N |