AC1NG087
ethyl 6-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41024840|ethyl 6-methyl-2-({[(2-methylbenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 6-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 6-methyl-2-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 6-methyl-2-(3-(2-methylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H24N2O3S2 |
|---|---|
| Molecular Weight | 416.12283 g/mol |
| LogP | 4.48482 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.12283 |
| Monoisotopic Mass | 416.12283 |
| Heavy Atoms | 28 |
| Complexity | 920.3697 |
Chemical Identifiers
| CAS Number | 445239-17-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=CC=C3C |
Product Overview
AC1NG087 (CAS 445239-17-8), with molecular formula C21H24N2O3S2 and molecular weight 416.12283 g/mol. IUPAC: ethyl 6-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.