Compound Identification
SMILES
OCCSC1=CC=CC=C1C(=O)N1CCN(CC2=CN=CN2)C2=C(C1)C=C(C=C2)C1=CC=CC=C1
InChIKey
InChIKey=SGSOBAJLELZXJT-UHFFFAOYSA-N
Formula
C28H28N4O2S
Mass
484.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
O-sulfanylbenzoic acids and derivatives Benzamides Thiophenol ethers Dialkylarylamines Benzoyl derivatives Alkylarylthioethers Aralkylamines Vinylogous thioesters Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Aryl thioether - Thiophenol ether - Benzoyl - Dialkylarylamine - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Primary alcohol - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available