Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3 |
InChIKey | InChI | 1.06 | IFWUBRBMMNTBRZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4cc(ccc24)[S](=O)(=O)NC5(C)CC5 |
SMILES | CACTVS | 3.385 | Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4cc(ccc24)[S](=O)(=O)NC5(C)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnc(s4)C)S(=O)(=O)NC5(CC5)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnc(s4)C)S(=O)(=O)NC5(CC5)C |