Basic information
- CAS
77051-85-5- Standard SMILES
COc1ccccc1NC(=S)NC1CCCC1N(C)C(=O)c1ccccc1[N+](=O)[O-]- InChIKey
KIDCCPZUVSNWLV-UHFFFAOYSA-N- Molecular formula
- C21H24N4O4S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.15182643
Names & identifiers
- Preferred name
- Benzamide, N-(2-((((2-methoxyphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitro-
- IUPAC
- N-[2-[(2-methoxyphenyl)carbamothioylamino]cyclopentyl]-N-methyl-2-nitrobenzamide
Names & synonyms
N-(2-((((2-Methoxyphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitrobenzamide77051-85-5Benzamide, N-(2-((((2-methoxyphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitro-RefChem:322156DTXSID70998324N-(2-Methoxyphenyl)-N'-[2-(N-methyl-2-nitrobenzamido)cyclopentyl]carbamimidothioic acidN-(2-Methoxyphenyl)-N'-{2-[methyl(2-nitrobenzoyl)amino]cyclopentyl}carbamimidothioic acid
Database identifiers
- CAS
77051-85-5- PubChem CID
- 3033643
- DTXSID
DTXSID70998324
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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