Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)Cc3c2ccc(c1cc(N)cc(N)c1)cc2n(c3)Cc4c5cc(Cl)ccc5sc4C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1sc2ccc(Cl)cc2c1Cn3cc(CC(O)=O)c4ccc(cc34)c5cc(N)cc(N)c5 |
SMILES | CACTVS | 3.370 | Cc1sc2ccc(Cl)cc2c1Cn3cc(CC(O)=O)c4ccc(cc34)c5cc(N)cc(N)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C26H22ClN3O2S/c1-14-23(22-10-18(27)3-5-25(22)33-14)13-30-12-17(9-26(31)32)21-4-2-15(8-24(21)30)16-6-19(28)11-20(29)7-16/h2-8,10-12H,9,13,28-29H2,1H3,(H,31,32) |
InChIKey | InChI | 1.03 | PFDAXQGFXBAMGF-UHFFFAOYSA-N |