Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(Cl)=C2C3=C(CCNCC3)N(CC(=O)NC3=NC4=CC=CC=C4S3)C2=C1

InChIKey

InChIKey=WBNFKNHUIRBIEP-UHFFFAOYSA-N

Formula

C21H18Cl2N4OS

Mass

445.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroloazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-alkylindole - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - 1,3-benzothiazole - N-arylamide - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Azole - Pyrrole - Thiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.

External Descriptors

Not available

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