Compound Identification
SMILES
ClC1=CC(Cl)=C2C3=C(CCNCC3)N(CC(=O)NC3=NC4=CC=CC=C4S3)C2=C1
InChIKey
InChIKey=WBNFKNHUIRBIEP-UHFFFAOYSA-N
Formula
C21H18Cl2N4OS
Mass
445.36
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
3-alkylindoles N-alkylindoles Benzothiazoles N-arylamides Aralkylamines Azepines Substituted pyrroles Aryl chlorides Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - 1,3-benzothiazole - N-arylamide - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Azole - Pyrrole - Thiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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 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