Compound Identification
SMILES
COC(=O)CCCN(CCCNC(=S)NC1=CC=C(Br)C=C1)C1CCCC2=CC=CC=C12
InChIKey
InChIKey=KEFOXDCQJHGBFS-UHFFFAOYSA-N
Formula
C25H32BrN3O2S
Mass
518.51
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
N-phenylthioureas Fatty acid methyl esters Bromobenzenes Aralkylamines Aryl bromides Methyl esters Trialkylamines Thioureas Amino acids and derivatives Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-phenylthiourea - Tetralin - Aralkylamine - Fatty acid methyl ester - Halobenzene - Fatty acid ester - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic 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