Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate
methyl 4-(benzoylcarbamothioylamino)-2-methoxybenzoate
Also Known As: Oprea1_764101|KS-00001UUI|methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate|methyl 4-(benzoylcarbamothioylamino)-2-methoxybenzoate|methyl 2-methoxy-4-{[(phenylformamido)methanethioyl]amino}benzoate|2R-0656|methyl 4-(benzoylcarbamothioylamino)-2-methoxy-benzoate|Methyl 4-[(benzoylcarbamothioyl)amino]-2-methoxybenzoate|Methyl 4-[[(benzoylamino)thioxomethyl]amino]-2-methoxybenzoate|methyl2-methoxy-4-{[(phenylformamido)methanethioyl]amino}benzoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08307 g/mol |
| LogP | 2.6086 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.08307 |
| Monoisotopic Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 762.4408 |
Chemical Identifiers
| CAS Number | 477889-75-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate (CAS 477889-75-1), with molecular formula C17H16N2O4S and molecular weight 344.08307 g/mol. IUPAC: methyl 4-(benzoylcarbamothioylamino)-2-methoxybenzoate.