912
Summary
| Name: | (2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide |
| Formula: | C25 H27 Cl N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 499.025 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H27ClN4O3S/c1-15-5-3-8-19(26)21(15)30-23(32)20-14-27-24(34-20)29-18-7-4-6-16(13-18)22(31)28-17-9-11-25(2,33)12-10-17/h3-8,13-14,17,33H,9-12H2,1-2H3,(H,27,29)(H,28,31)(H,30,32)/t17-,25- |
| InChIKey | InChI | 1.06 | FJOOAAAPKODUJU-QFMRLBMFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[C@H]4CC[C@](C)(O)CC4)nc2 |
| SMILES | CACTVS | 3.385 | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CC[C](C)(O)CC4)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)(C)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)(C)O)Cl |
