AC1M35MW
methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-(4-(1H-pyrrol-1-yl)benzoyl)hydrazinecarbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate|methyl 4-ethyl-5-methyl-2-[({[(4-pyrrolylphenyl)carbonylamino]amino}thioxometh yl)amino]thiophene-3-carboxylate|methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate|Methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylate|methyl 4-ethyl-5-methyl-2-{[(2-{[4-(1H-pyrrol-1-yl)phenyl]carbonyl}hydrazinyl)carbonothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H22N4O3S2 |
|---|---|
| Molecular Weight | 442.11334 g/mol |
| LogP | 3.82762 |
| Topological Polar Surface Area | 84.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.11334 |
| Monoisotopic Mass | 442.11334 |
| Heavy Atoms | 30 |
| Complexity | 1056.8694 |
Chemical Identifiers
| CAS Number | 701944-83-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)C |
Product Overview
AC1M35MW (CAS 701944-83-4), with molecular formula C21H22N4O3S2 and molecular weight 442.11334 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate.
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