Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)C\C=C(/C)C |
InChI | InChI | 1.02b | InChI=1/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1/f/h18H |
InChIKey | InChI | 1.02b | RCSLUNOLLUVOOG-FPCLSXBCDT |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(C)C)c23 |
SMILES | CACTVS | 3.341 | C[CH]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(C)C)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C |