Structure Information
Structure

Compound Identification

SMILES

O=C(CCC1=CN=CC=C1)NCCCCN1CCC(CC1)=C1C2=C(SC=C2)SCC2=CC=CC=C12

InChIKey

InChIKey=ABZAKAHITMFTMC-UHFFFAOYSA-N

Formula

C29H33N3OS2

Mass

503.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiepins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiepin - Aryl thioether - Alkylarylthioether - Fatty amide - Piperidine - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Thioether - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).

External Descriptors

Not available

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