CBMicro_042250
N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: CBMicro_042250|Oprea1_860306|BIM-0042318.P001|N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide|2-[(anilinocarbonothioyl)amino]-N-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide|N-(2-methylphenyl)(2-{[(phenylamino)thioxomethyl]amino}(4,5,6,7,8-pentahydrocy clohepta[1,2-b]thiophen-3-yl))carboxamide|N-(2-methylphenyl)-2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C24H25N3OS2 |
|---|---|
| Molecular Weight | 435.1439 g/mol |
| LogP | 6.38662 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1439 |
| Monoisotopic Mass | 435.1439 |
| Heavy Atoms | 30 |
| Complexity | 1059.5679 |
Chemical Identifiers
| CAS Number | 6046-45-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=S)NC4=CC=CC=C4 |
Product Overview
CBMicro_042250 (CAS 6046-45-3), with molecular formula C24H25N3OS2 and molecular weight 435.1439 g/mol. IUPAC: N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
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