Compound Identification
SMILES
CC1=CC=C(NC(=S)NCCCN(CCCC(O)=O)C2CCCC3=CC=CC=C23)C=C1
InChIKey
InChIKey=XQUDORCEXIQXNE-UHFFFAOYSA-N
Formula
C25H33N3O2S
Mass
439.62
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 Toluenes Aralkylamines Amino fatty acids Trialkylamines Thioureas Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-phenylthiourea - Tetralin - Amino fatty acid - Aralkylamine - Toluene - Monocyclic benzene moiety - Fatty acyl - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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