Compound Identification
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(C)C(=O)C1=CC=NC=C1
InChIKey
InChIKey=QLRRTKKUTQCLAI-URLMMPGGSA-N
Formula
C33H36N6O6S3
Mass
708.87
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
Amphetamines and derivatives Benzothiazoles Pyridinecarboxylic acids and derivatives Organosulfonamides Aminosulfonyl compounds Thiazoles Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - 1,3-benzothiazole - Pyridine carboxylic acid or derivatives - Pyridine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Thiazole - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Carbonic acid derivative - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - 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