Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H23N5O4S2/c1-14-18(6-3-8-25-14)26-20(31)13-34-24-27-22-21(23(32)29(24)11-16-5-4-10-33-16)17-7-9-28(15(2)30)12-19(17)35-22/h3-6,8,10H,7,9,11-13H2,1-2H3,(H,26,31) |
InChIKey | InChI | 1.06 | PQYXGDZAWKQEEM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCc2c(C1)sc3N=C(SCC(=O)Nc4cccnc4C)N(Cc5occc5)C(=O)c23 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCc2c(C1)sc3N=C(SCC(=O)Nc4cccnc4C)N(Cc5occc5)C(=O)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5 |