Compound Identification
SMILES
Cl.COC1=C(SC2=C1C=CC=C2)C(=O)NCCNCCCC1=CC=CC=C1
InChIKey
InChIKey=DNPUQRSOWHZZBC-UHFFFAOYSA-N
Formula
C21H25ClN2O2S
Mass
404.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropylamines
Alternative Parents
1-benzothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpropylamine - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aralkylamine - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
External Descriptors
Not available