Compound Identification
SMILES
CSCCCN[C@H]1CSC2=C(C=C(C=C2)C(N)=O)N(CC2=CC3=C(OCO3)C=C2)C1=O
InChIKey
InChIKey=PVWFQUBCZDDVNK-INIZCTEOSA-N
Formula
C22H25N3O4S2
Mass
459.58
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
Alpha amino acids and derivatives Benzodioxoles Alkylarylthioethers Benzenoids Tertiary carboxylic acid amides Primary carboxylic acid amides Lactams Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Dialkylamines Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Alpha-amino acid or derivatives - Benzodioxole - Aryl thioether - Alkylarylthioether - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Primary carboxylic acid amide - Azacycle - Oxacycle - Dialkylthioether - Carboxylic acid derivative - Secondary aliphatic amine - Acetal - Secondary amine - Thioether - Sulfenyl compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - 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