AC1NAL5U
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41025102|methyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[({[2-chloro-5-(methylsulfanyl)phenyl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(3-(2-chloro-5-(methylthio)benzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H19ClN2O3S3 |
|---|---|
| Molecular Weight | 454.02463 g/mol |
| LogP | 4.9156 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.02463 |
| Monoisotopic Mass | 454.02463 |
| Heavy Atoms | 28 |
| Complexity | 942.74536 |
Chemical Identifiers
| CAS Number | 445239-82-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)SC)Cl |
Product Overview
AC1NAL5U (CAS 445239-82-7), with molecular formula C19H19ClN2O3S3 and molecular weight 454.02463 g/mol. IUPAC: methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.