Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H27ClN4O2S/c1-23(2,30-16-10-8-15(24)9-11-16)22(29)28(4)13-12-27(3)18-6-5-7-19-17(18)14-20(31-19)21(25)26/h5-11,14H,12-13H2,1-4H3,(H3,25,26) |
InChIKey | InChI | 1.06 | WWBHPHFJJFVXBN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CCN(C)c1cccc2sc(cc12)C(N)=N)C(=O)C(C)(C)Oc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | CN(CCN(C)c1cccc2sc(cc12)C(N)=N)C(=O)C(C)(C)Oc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/c1cc2c(cccc2s1)N(C)CCN(C)C(=O)C(C)(C)Oc3ccc(cc3)Cl)\N |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)N(C)CCN(C)c1cccc2c1cc(s2)C(=N)N)Oc3ccc(cc3)Cl |