AC1LYTBW
2-[(4-methoxybenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: Oprea1_587489|SR-01000448074-1|2-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide|2-({[(4-METHOXYPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE|2-(3-(4-methoxybenzoyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide|2-[(4-methoxybenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
| Molecular Formula | C20H23N3O3S2 |
|---|---|
| Molecular Weight | 417.11807 g/mol |
| LogP | 3.6414 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.11807 |
| Monoisotopic Mass | 417.11807 |
| Heavy Atoms | 28 |
| Complexity | 890.846 |
Chemical Identifiers
| CAS Number | 370577-13-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)N |
Product Overview
AC1LYTBW (CAS 370577-13-2), with molecular formula C20H23N3O3S2 and molecular weight 417.11807 g/mol. IUPAC: 2-[(4-methoxybenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.