Compound Identification
SMILES
CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(N1)C1=CC=C(OCC2=CC=C(C[N+]34CCN(CC3)CC4)C=C2)C=C1
InChIKey
InChIKey=MCCOMZFHJACARM-UHFFFAOYSA-N
Formula
C39H55N4O3S
Mass
659.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Dialkylarylamines Alkyl aryl ethers Aralkylamines N-alkylpiperazines Tetraalkylammonium salts Sulfones Trialkylamines Azacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Phenoxy compound - Benzylamine - Phenol ether - Dialkylarylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tetraalkylammonium salt - Quaternary ammonium salt - Sulfone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available