Compound Identification
SMILES
[O-]C(=O)\C=C\C([O-])=O.CN(C)CCC1CN(C)C(=S)C2=C(C1)N=CC=C2
InChIKey
InChIKey=TZGPZPXWEUTSIK-WLHGVMLRSA-L
Formula
C18H23N3O4S
Mass
377.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepines
Alternative Parents
Aralkylamines Unsaturated fatty acids Pyridines and derivatives Dicarboxylic acids and derivatives Thiolactams Heteroaromatic compounds Trialkylamines Carboxylic acid salts Carboxylic acids Azacyclic compounds Thiocarbonyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Azepine - Aralkylamine - Dicarboxylic acid or derivatives - Pyridine - Fatty acyl - Fatty acid - Unsaturated fatty acid - Heteroaromatic compound - Thiolactam - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Thiocarbonyl group - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available