Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C(SCC2=CC=CC=C2Cl)SC2=C1NC(=O)C1CCCN1C2=O

InChIKey

InChIKey=LBABXDLGBRIONL-UHFFFAOYSA-N

Formula

C18H16ClN3O3S2

Mass

421.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Thieno-para-diazepine - 2-heteroaryl carboxamide - Aryl thioether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Para-diazepine - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Pyrrolidine - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Primary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

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