Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C |
InChI | InChI | 1.03 | InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1 |
InChIKey | InChI | 1.03 | KLBQZWRITKRQQV-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CSc1ccc2Sc3ccccc3N(CC[C@@H]4CCCCN4C)c2c1 |
SMILES | CACTVS | 3.370 | CSc1ccc2Sc3ccccc3N(CC[CH]4CCCCN4C)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC |