Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3SC(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)NCCOC)=C(N3C)C |
SMILES_CANONICAL | CACTVS | 3.352 | COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)C3=C(C)N(C)C(=O)S3)cc1 |
SMILES | CACTVS | 3.352 | COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)C3=C(C)N(C)C(=O)S3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC |
InChI | InChI | 1.03 | InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22) |
InChIKey | InChI | 1.03 | WQZVTNFUNLTGDW-UHFFFAOYSA-N |