Compound Identification
SMILES
CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C1=CC=C(OCCCCCN(CC)CC)C=C1
InChIKey
InChIKey=URBHNOUIEQXVTG-KKLWWLSJSA-N
Formula
C35H56N2O4S
Mass
600.9
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
Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Sulfones Trialkylamines Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Ether - Amine - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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