Compound Identification
SMILES
CC1=C2SC(=NC2=C(C)C=C1)N(CCCN1CCOCC1)C(=O)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=XKIBOCCCWJOVFW-UHFFFAOYSA-N
Formula
C23H25F2N3O2S
Mass
445.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
2-halobenzoic acids and derivatives Benzamides Benzothiazoles Benzoyl derivatives Fluorobenzenes Aryl fluorides Morpholines Vinylogous halides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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