Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC(=CS1)C1=CC(C(O)=O)=C(C)N1CCCCC1=CC=CC=C1
InChIKey
InChIKey=IGVIYDBPDGFJLU-UHFFFAOYSA-N
Formula
C26H26N2O3S
Mass
446.57
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
Pyrrole carboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 2,4-disubstituted thiazoles Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Anisole - Phenol ether - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Substituted pyrrole - Thiazole - Vinylogous amide - Pyrrole - Heteroaromatic compound - Azole - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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