Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(C(Nc1ccc(N(CC)CC)cc1)=O)nc3c(c2)scn3 |
InChI | InChI | 1.03 | InChI=1S/C16H18N4OS/c1-3-20(4-2)12-7-5-11(6-8-12)18-16(21)13-9-14-15(19-13)17-10-22-14/h5-10,19H,3-4H2,1-2H3,(H,18,21) |
InChIKey | InChI | 1.03 | TVTVLXWVEVEQPY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc(NC(=O)c2[nH]c3ncsc3c2)cc1 |
SMILES | CACTVS | 3.385 | CCN(CC)c1ccc(NC(=O)c2[nH]c3ncsc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3 |