Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=CC(C(O)=O)=C1SCCN1C=NC2=C1NC=NCC2O

InChIKey

InChIKey=DVADQLJWEGAWJS-UHFFFAOYSA-N

Formula

C18H22N4O3S

Mass

374.46

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Imidazodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Imidazodiazepine - Imidazo-meta-diazepine - Phenylpropane - Benzoic acid or derivatives - Benzoic acid - Cumene - Aryl thioether - Thiophenol ether - Benzoyl - Meta-diazepine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Vinylogous thioester - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as imidazodiazepines. These are organic compounds containing an imidazole ring fused to a diazepine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

Previous Back Next