Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C1CCCN1C(c2c(sc(C)n2)c3c(cccc3)F)=O)c4oc(nn4)c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | HYBZWVLPALMACV-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(c2ccccc2F)c(n1)C(=O)N3CCC[C@H]3Cc4oc(nn4)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cc1sc(c2ccccc2F)c(n1)C(=O)N3CCC[CH]3Cc4oc(nn4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCCC3Cc4nnc(o4)c5ccccc5 |