Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C2SC(=S)N(C(=O)C3=CC=C(Cl)C=C3)C2=O)C=C1
InChIKey
InChIKey=YFFCMABWJSKOFO-UHFFFAOYSA-N
Formula
C21H19ClN2O2S2
Mass
430.97
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
Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Chlorobenzenes N-substituted carboxylic acid imides Aryl chlorides Thiazolidinethiones Dicarboximides Cyclic dithiocarbamic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid imide, n-substituted - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Carboxylic acid imide - Dicarboximide - Dithiocarbamic acid ester - Thiazolidine - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - 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