CBKinase1_006580
methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate
Also Known As: CBKinase1_006580|CBKinase1_018980|methyl 2-(3-(3-acetamidophenyl)thioureido)-5-benzylthiophene-3-carboxylate|methyl 2-({[3-(acetylamino)phenyl]carbamothioyl}amino)-5-benzylthiophene-3-carboxylate|methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate|methyl 2-[({[3-(acetylamino)phenyl]amino}thioxomethyl)amino]-5-benzylthiophene -3-carboxylate
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10245 g/mol |
| LogP | 4.8928 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.10245 |
| Monoisotopic Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1064.4995 |
Chemical Identifiers
| CAS Number | 701280-58-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC |
Product Overview
CBKinase1_006580 (CAS 701280-58-2), with molecular formula C22H21N3O3S2 and molecular weight 439.10245 g/mol. IUPAC: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate.
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