AC1MW5KH
ethyl 1-(benzoylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Also Known As: ethyl 1-(3-benzoylthioureido)-5-isopropyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate|ethyl 1-(benzoylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate|ethyl 1-{[(phenylcarbonyl)carbamothioyl]amino}-5-(propan-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
| Molecular Formula | C25H27N3O3S2 |
|---|---|
| Molecular Weight | 481.14938 g/mol |
| LogP | 5.602 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.14938 |
| Monoisotopic Mass | 481.14938 |
| Heavy Atoms | 33 |
| Complexity | 1218.8553 |
Chemical Identifiers
| CAS Number | 836633-80-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(C3=C2CCCC3)C(C)C)NC(=S)NC(=O)C4=CC=CC=C4 |
Product Overview
AC1MW5KH (CAS 836633-80-8), with molecular formula C25H27N3O3S2 and molecular weight 481.14938 g/mol. IUPAC: ethyl 1-(benzoylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate.
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