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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Imidazodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazodiazepines
Alternative Parents
O-sulfanylbenzoic acids Phenylpropanes Benzoic acids Cumenes Thiophenol ethers Benzoyl derivatives 1,3-diazepines Alkylarylthioethers Vinylogous thioesters N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Monocarboxylic acids and derivatives Carboxylic acids Carboxamidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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