Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ccc(cc1F)n1cc2c(n1)ncnc2N1CCCC(C1)C(=O)NCc1cc2ccsc2cc1 |
InChI | InChI | 1.06 | InChI=1S/C27H25FN6OS/c1-17-4-6-21(12-23(17)28)34-15-22-25(32-34)30-16-31-26(22)33-9-2-3-20(14-33)27(35)29-13-18-5-7-24-19(11-18)8-10-36-24/h4-8,10-12,15-16,20H,2-3,9,13-14H2,1H3,(H,29,35)/t20-/m0/s1 |
InChIKey | InChI | 1.06 | LQSRIPAMJVTBAV-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1F)n2cc3c(ncnc3N4CCC[C@@H](C4)C(=O)NCc5ccc6sccc6c5)n2 |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1F)n2cc3c(ncnc3N4CCC[CH](C4)C(=O)NCc5ccc6sccc6c5)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)n2cc3c(n2)ncnc3N4CCC[C@@H](C4)C(=O)NCc5ccc6c(c5)ccs6 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)n2cc3c(n2)ncnc3N4CCCC(C4)C(=O)NCc5ccc6c(c5)ccs6 |