N-[(4-fluorophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide

HCID 883147

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Basic information

CAS: 428492-18-6
Standard SMILES: Cc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1[N+](=O)[O-]
InChIKey: GNTISYGKVGVKIT-UHFFFAOYSA-N
Molecular formula: C15H12FN3O3S
Average molar mass: 333.3 g/mol
Monoisotopic mass: 333.05834059

Names & identifiers

Preferred name: N-[(4-fluorophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
IUPAC: N-[(4-fluorophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide

Names & synonyms

N-[(4-fluorophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide428492-18-6N-{[(4-fluorophenyl)amino]carbonothioyl}-4-methyl-3-nitrobenzamideDTXSID601167368STK141274AKOS002741151N-[[(4-Fluorophenyl)amino]thioxomethyl]-4-methyl-3-nitrobenzamide

Database identifiers

CAS: 428492-18-6
PubChem CID: 883147
DTXSID: DTXSID601167368

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 119 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 463

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