Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(Nc2ncc(SCc1oc(cn1)C(C)(C)C)s2)(C3CCNCC3)=O |
InChI | InChI | 1.03 | InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) |
InChIKey | InChI | 1.03 | OUSFTKFNBAZUKL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1oc(CSc2sc(NC(=O)C3CCNCC3)nc2)nc1 |
SMILES | CACTVS | 3.385 | CC(C)(C)c1oc(CSc2sc(NC(=O)C3CCNCC3)nc2)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3 |