Compound Identification
SMILES
CCOC(=O)N1CCN(CCCN2N=C3CC(SC4=C(C=C(Cl)C=C4)N3C2=O)C2=CC=CC=C2)CC1
InChIKey
InChIKey=JAGCAHWEKDMTFM-UHFFFAOYSA-N
Formula
C26H30ClN5O3S
Mass
528.07
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
Piperazine carboxylic acids N-alkylpiperazines Alkylarylthioethers Benzene and substituted derivatives Aryl chlorides Triazoles Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Piperazine-1-carboxylic acid - Aryl thioether - Alkylarylthioether - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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