AC1MJTBF
ethyl 1-(benzoylcarbamothioylamino)-3-ethyl-3-methyl-4H-naphthalene-2-carboxylate
Also Known As: Oprea1_230116|BAS 00288956|ethyl 1-{[(benzoylamino)carbothioyl]amino}-3-ethyl-3-methyl-3,4-dihydro-2-naphthalenecarboxylate|AG-690/34034006|ethyl 1-(benzoylcarbamothioylamino)-3-ethyl-3-methyl-4H-naphthalene-2-carboxylate|ethyl 1-(3-benzoylthioureido)-3-ethyl-3-methyl-3,4-dihydronaphthalene-2-carboxylate|1-(3-Benzoyl-thioureido)-3-ethyl-3-methyl-3,4-dihydro-naphthalene-2-carboxylic acid ethyl ester|ethyl 3-ethyl-3-methyl-1-{[(phenylcarbonyl)carbamothioyl]amino}-3,4-dihydronaphthalene-2-carboxylate|ethyl 3-ethyl-3-methyl-1-{[(phenylcarbonylamino)thioxomethyl]amino}-3,4-dihydr onaphthalene-2-carboxylate
| Molecular Formula | C24H26N2O3S |
|---|---|
| Molecular Weight | 422.1664 g/mol |
| LogP | 4.2377 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1664 |
| Monoisotopic Mass | 422.1664 |
| Heavy Atoms | 30 |
| Complexity | 1000.52045 |
Chemical Identifiers
| CAS Number | 328070-75-3 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C(=C1C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)C |
Product Overview
AC1MJTBF (CAS 328070-75-3), with molecular formula C24H26N2O3S and molecular weight 422.1664 g/mol. IUPAC: ethyl 1-(benzoylcarbamothioylamino)-3-ethyl-3-methyl-4H-naphthalene-2-carboxylate.