Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc3ccc(c2nsc1cc(OCCCCCCN(C\C=C)C)ccc12)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCCCCOc1ccc2c(snc2c3ccc(Br)cc3)c1)CC=C |
SMILES | CACTVS | 3.341 | CN(CCCCCCOc1ccc2c(snc2c3ccc(Br)cc3)c1)CC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@](CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C |
InChI | InChI | 1.03 | InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3 |
InChIKey | InChI | 1.03 | UCIDPJLYUKNYFZ-UHFFFAOYSA-N |