AC1LZN55
ethyl 2-[(3-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: SR-01000472288-1|ethyl 2-(3-(3-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Ethyl 2-[(3-bromobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate|ETHYL 2-({[(3-BROMOPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-[(3-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H19BrN2O3S2 |
|---|---|
| Molecular Weight | 466.00204 g/mol |
| LogP | 4.6929 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.00204 |
| Monoisotopic Mass | 466.00204 |
| Heavy Atoms | 27 |
| Complexity | 895.0751 |
Chemical Identifiers
| CAS Number | 425666-85-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=CC=C3)Br |
Product Overview
AC1LZN55 (CAS 425666-85-9), with molecular formula C19H19BrN2O3S2 and molecular weight 466.00204 g/mol. IUPAC: ethyl 2-[(3-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.