Compound Identification
SMILES
COC1=CC=CC2=C1CCC1CNC(CCN3C(=O)NC4=C(C=CS4)C3=O)C21
InChIKey
InChIKey=WEJLCQUUAHKLGW-UHFFFAOYSA-N
Formula
C21H23N3O3S
Mass
397.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Thienopyrimidines Isoindoles Isoindolines Anisoles Alkyl aryl ethers Aralkylamines Pyrimidones Vinylogous amides Thiophenes Heteroaromatic compounds Pyrrolidines Ureas Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Isoindoline - Isoindole - Isoindole or derivatives - Thienopyrimidine - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Thiophene - Lactam - Urea - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available