Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3)N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2cccc(c2)[S](N)(=O)=O)sc1C(=O)c3ccccc3 |
SMILES | CACTVS | 3.370 | Nc1nc(Nc2cccc(c2)[S](N)(=O)=O)sc1C(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N |
InChI | InChI | 1.03 | InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23) |
InChIKey | InChI | 1.03 | HEKMYKTWCKGDFA-UHFFFAOYSA-N |