Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(N)c2)N)cc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N |
SMILES | CACTVS | 3.370 | Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)[S](N)(=O)=O)nc2N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N |
InChI | InChI | 1.03 | InChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24) |
InChIKey | InChI | 1.03 | XNRIWHPUEZHUFJ-UHFFFAOYSA-N |