Compound Identification
SMILES
CC1=C(C)C(=CC=C1)N1C(=S)NC(=O)C(=CC2=CN(CC3=CC=C(F)C=C3)C3=CC=CC=C23)C1=O
InChIKey
InChIKey=OSMCVHAXQFEUDY-UHFFFAOYSA-N
Formula
C28H22FN3O2S
Mass
483.56
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
N-alkylindoles Thiobarbituric acid derivatives Indoles o-Xylenes Fluorobenzenes Aryl fluorides Diazinanes Substituted pyrroles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - N-phenylthiourea - Indole - Indole or derivatives - Thiobarbiturate - O-xylene - Xylene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,3-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic 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