Compound Identification
SMILES
CCNC(=S)NC1=C(N2CCCCCC2=C1C#N)C(=O)OCC
InChIKey
InChIKey=XHKNWHIWRDKLTG-UHFFFAOYSA-N
Formula
C16H22N4O2S
Mass
334.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroloazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroloazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloazepines
Alternative Parents
Pyrrole carboxylic acids and derivatives Azepines Substituted pyrroles Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - Pyrrole-2-carboxylic acid or derivatives - Azepine - Substituted pyrrole - Pyrrole - Vinylogous amide - Heteroaromatic compound - Thiourea - Carboxylic acid ester - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.
External Descriptors
Not available