Structure Information
Structure

Compound Identification

SMILES

SC1=C(C=CC(Br)=C1)C(=O)N1CCN(CC1)C(=O)C(=O)C1=CNC2=C1C(Cl)=CC=C2

InChIKey

InChIKey=NRPQWZLAHHNZTN-UHFFFAOYSA-N

Formula

C21H17BrClN3O3S

Mass

506.8

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

Sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Indole - Indole or derivatives - Benzoyl - Thiophenol - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Substituted pyrrole - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Ketone - Organoheterocyclic compound - Arylthiol - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Carbonyl group - Organopnictogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

External Descriptors

Not available

Previous Back Next