Compound Identification
SMILES
CCOC1=CC=CC=C1C1=C2N3CCN(CCC3C3CCCSC(C=C1)=C23)C1CC1
InChIKey
InChIKey=MGVOZYJCNIONPE-UHFFFAOYSA-N
Formula
C26H32N2OS
Mass
420.62
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
Indoles and derivatives Phenoxy compounds Phenol ethers Dialkylarylamines Aralkylamines Alkylarylthioethers Alkyl aryl ethers 1,4-diazepanes Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Indole or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1,4-diazepane - Alkyl aryl ether - Diazepane - Alkylarylthioether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Thioether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - 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