Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(C)C)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)cc1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)CCC5 |
InChI | InChI | 1.03 | InChI=1S/C29H32Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22,25H,6-7,16H2,1-5H3/t22-,25+,29-/m0/s1 |
InChIKey | InChI | 1.03 | BWUMOCARMRPCIP-HQQGYVGFSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c3ccc(Cl)cc3)c4ccc(Cl)cc4)C(=O)N5CCC[C@H]5C(=O)N(C)C |
SMILES | CACTVS | 3.370 | CC(C)C1=C(SC2=N[C](C)([CH](N12)c3ccc(Cl)cc3)c4ccc(Cl)cc4)C(=O)N5CCC[CH]5C(=O)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C1=C(SC2=N[C@@]([C@H](N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCC[C@H]5C(=O)N(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C1=C(SC2=NC(C(N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCCC5C(=O)N(C)C |