Compound Identification
SMILES
CCOC(=O)N1CCN(CCCN2N=C3CC(C)SC4=C(C=CC(Cl)=C4)N3C2=O)CC1
InChIKey
InChIKey=ZZXDIKKBNCKNQD-UHFFFAOYSA-N
Formula
C21H28ClN5O3S
Mass
466.0
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 Benzenoids 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 - N-alkylpiperazine - Alkylarylthioether - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Carbamic acid ester - 1,2,4-triazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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