Compound Identification
SMILES
CN1CCN=C(C=CC2=CC=CC=C2SCC2=CC=C(C=C2)C(C)(C)C)C2=CC=CC=C12
InChIKey
InChIKey=BBYUYNUCKOXISA-UHFFFAOYSA-N
Formula
C29H32N2S
Mass
440.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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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
Phenylpropanes Thiophenol ethers Styrenes Dialkylarylamines Alkylarylthioethers Ketimines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Phenylpropane - Styrene - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Ketimine - Sulfenyl compound - Thioether - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Imine - 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