Compound Identification
SMILES
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C1=NN=C(SCC(=O)NC2=C(C)C=C(C)C=C2C)N1C
InChIKey
InChIKey=IFQQYJZXAWAXFV-UHFFFAOYSA-N
Formula
C25H30FN5O2S
Mass
483.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Anilides Benzamides Benzoyl derivatives N-arylamides Alkylarylthioethers Fluorobenzenes Aryl fluorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Anilide - Aryl thioether - Benzoyl - N-arylamide - Fluorobenzene - Alkylarylthioether - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available