Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1CCCN1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C19H22N4O4S/c24-18(25)12-5-3-9-23(12)19(26)21-17-14(11-4-1-2-6-13(11)28-17)16-20-15(22-27-16)10-7-8-10/h10,12H,1-9H2,(H,21,26)(H,24,25)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | CZBPNLYBAANTHD-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCN1C(=O)Nc2sc3CCCCc3c2c4onc(n4)C5CC5 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN1C(=O)Nc2sc3CCCCc3c2c4onc(n4)C5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCc2c(c(c(s2)NC(=O)N3CCC[C@@H]3C(=O)O)c4nc(no4)C5CC5)C1 |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CCc2c(c(c(s2)NC(=O)N3CCCC3C(=O)O)c4nc(no4)C5CC5)C1 |