AC1LYSR8
2-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: SR-01000448075-1|2-({[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide|2-({[(3,4-DIMETHOXYPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE|2-(3-(3,4-dimethoxybenzoyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide|2-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
| Molecular Formula | C21H25N3O4S2 |
|---|---|
| Molecular Weight | 447.12866 g/mol |
| LogP | 3.65 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.12866 |
| Monoisotopic Mass | 447.12866 |
| Heavy Atoms | 30 |
| Complexity | 971.40137 |
Chemical Identifiers
| CAS Number | 369403-76-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)N)OC |
Product Overview
AC1LYSR8 (CAS 369403-76-9), with molecular formula C21H25N3O4S2 and molecular weight 447.12866 g/mol. IUPAC: 2-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.