Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C1NCC2=C(SC3=C2CCCC3)N2C=CC=C12

InChIKey

InChIKey=LHTJIRMYTXFCQU-UHFFFAOYSA-N

Formula

C21H22N2OS

Mass

350.48

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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

Thieno-para-diazepine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Para-diazepine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Pyrrole - Azacycle - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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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