| MolName | N-cyclohexyl-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide |
| MolecularFormula | C17H20N2O2S3 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)NC1CCCCC1 |
| InChI | InChI=1S/C17H20N2O2S3/c20-15(18-12-5-2-1-3-6-12)8-9-19-16(21)14(24-17(19)22)11-13-7-4-10-23-13/h4,7,10-12H,1-3,5-6,8-9H2,(H,18,20) |
| InChIK | HWVMNNCIPNQGEW-UHFFFAOYSA-N |
| TotalMolweight | 380.556 |
| Molweight | 380.556 |
| MonoisotopicMass | 380.068688 |
| CLogP | 2.3575 |
| CLogS | -4.759 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.19 |
| Relative PSA | 0.37763 |
| PolarSurfaceArea | 135.04 |
| Druglikeness | 1.1493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-cyclohexyl-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide | 2 - N-cyclohexyl-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide