Compound Identification
SMILES
IC1=CC=C(C=C1)C(=O)NC1=NN=C(NCCCNC2CCCCC2)S1
InChIKey
InChIKey=MXQPPLRPIXCGBX-UHFFFAOYSA-N
Formula
C18H24IN5OS
Mass
485.39
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
Benzamides Benzoyl derivatives 2-amino-5-substituted-1,3,4-thiadiazoles Secondary alkylarylamines Cyclohexylamines Iodobenzenes Aryl iodides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Organoiodides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Iodobenzene - Halobenzene - Cyclohexylamine - 2-amino-5-substituted-1,3,4-thiadiazole - Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Aryl halide - Aryl iodide - Azole - Heteroaromatic compound - Thiadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Organoiodide - Organohalogen 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