Compound Identification
SMILES
CC[NH+](CC)CCN=CC1C(=O)NC(=S)N(C1=O)C1=CC=CC=C1F
InChIKey
InChIKey=NWOBXACOZNHYBQ-UHFFFAOYSA-O
Formula
C17H22FN4O2S
Mass
365.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Thiobarbituric acid derivatives Fluorobenzenes Diazinanes Aryl fluorides 1,3-dicarbonyl compounds Quaternary ammonium salts Trialkylamines Thioureas Shiff bases Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,3-diazinane - 1,3-dicarbonyl compound - Quaternary ammonium salt - Tertiary aliphatic amine - Thiourea - Tertiary amine - Shiff base - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Aldimine - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organic oxide - Imine - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available