Compound Identification
SMILES
C(CN1N=NN=C1CCN1C2=CC=CC=C2C2=C1C1=CC=CC=C1SCC2)N1CCCC1
InChIKey
InChIKey=AAUVLIMIODUMQN-UHFFFAOYSA-N
Formula
C25H28N6S
Mass
444.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
N-alkylindoles 3-alkylindoles Alkylarylthioethers Substituted pyrroles N-alkylpyrrolidines Benzenoids Tetrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - N-alkylindole - 3-alkylindole - Indole or derivatives - Indole - Aryl thioether - Alkylarylthioether - Substituted pyrrole - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Heteroaromatic compound - Tetrazole - Azole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Thioether - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available