Compound Identification
SMILES
CC(C)C1=CC2=C(SC3=C(C=CC=N3)C=C2N2CCN(C)CC2)C=C1
InChIKey
InChIKey=XCPDJBQBNZEIHG-UHFFFAOYSA-N
Formula
C21H25N3S
Mass
351.51
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
Diarylthioethers N-methylpiperazines Pyridines and derivatives Benzenoids Heteroaromatic compounds Trialkylamines Enamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Enamine - Azacycle - Thioether - Organonitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen 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