N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methylbenzamide
Basic information
- CAS
6427-34-5- Standard SMILES
Cc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1- InChIKey
FRQBVMCUIBXXBE-UHFFFAOYSA-N- Molecular formula
- C21H18N2OS
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.11398438
Names & identifiers
- Preferred name
- N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methylbenzamide
- IUPAC
- N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methylbenzamide
Names & synonyms
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methylbenzamide6427-34-5DTXSID40982816STK023007AKOS000623144AG-690/15430673N-(1,2-dihydroacenaphthylen-5-yl)-N'-(4-methylbenzoyl)thioureaN-{[(1,2-Dihydroacenaphthylen-5-yl)imino](sulfanyl)methyl}-4-methylbenzene-1-carboximidic acid
Database identifiers
- CAS
6427-34-5- PubChem CID
- 801908
- DTXSID
DTXSID40982816
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
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Compound notes
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