Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitro-
Basic information
- CAS
77051-83-3- Standard SMILES
Cc1ccc(C)c(NC(=S)NC2CCCC2N(C)C(=O)c2ccccc2[N+](=O)[O-])c1- InChIKey
UNAYBYGANCBBKF-UHFFFAOYSA-N- Molecular formula
- C22H26N4O3S
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.17256188
Names & identifiers
- Preferred name
- Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitro-
- IUPAC
- N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-2-nitrobenzamide
Names & synonyms
77051-83-3N-(2-((((2,5-Dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitrobenzamideBenzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitro-RefChem:322154DTXSID50998322N-(2,5-Dimethylphenyl)-N'-[2-(N-methyl-2-nitrobenzamido)cyclopentyl]carbamimidothioic acidN-(2,5-Dimethylphenyl)-N'-{2-[methyl(2-nitrobenzoyl)amino]cyclopentyl}carbamimidothioic acid
Database identifiers
- CAS
77051-83-3- PubChem CID
- 3033641
- DTXSID
DTXSID50998322
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
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Compound notes
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