Compound Identification
SMILES
CCCCC1(CCCC)C(O)SC2=C([C@H](C1O)C1=CC=C(OCC3=CC=C(C[N+]45CCN(CC4)CC5)C=C3)C=C1)C(O)=C(C=C2)N(C)C
InChIKey
InChIKey=VHNKDNKJAZIPEN-YJOQVPQYSA-O
Formula
C40H56N3O4S
Mass
674.96
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
Aryl thioethers Benzylamines Dialkylarylamines Phenol ethers Phenylmethylamines Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines N-alkylpiperazines Tetraalkylammonium salts Secondary alcohols Trialkylamines Azacyclic compounds Polyols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Phenylmethylamine - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aryl thioether - Phenol ether - Dialkylarylamine - Benzylamine - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Quaternary ammonium salt - Tetraalkylammonium salt - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ether - Azacycle - Polyol - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - 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