Compound Identification
SMILES
CCCCCCCOCC1=CC2=C(SC(NC3=CC=C(CCCC(N)(CO)CO)C=C3)=N2)C=C1
InChIKey
InChIKey=ZQTJAKFEWXRBTJ-UHFFFAOYSA-N
Formula
C27H39N3O3S
Mass
485.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Benzothiazoles Aniline and substituted anilines Aralkylamines 2-amino-1,3-thiazoles Heteroaromatic compounds 1,2-aminoalcohols Dialkyl ethers Azacyclic compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - 1,3-benzothiazole - Aniline or substituted anilines - Aralkylamine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - 1,2-aminoalcohol - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available