Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next