Compound Identification
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OC1=C(C)C=CC=C1C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(C)CCCN(C)C
InChIKey
InChIKey=COAWJYBQHZZZHY-AJQTZOPKSA-N
Formula
C36H49N5O5S2
Mass
695.94
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 m-Xylenes Phenoxy compounds Dialkylarylamines 2-amino-1,3-thiazoles Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Carbamate esters Organic carbonic acids and derivatives Secondary alcohols Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - 1,3-benzothiazole - Phenoxy compound - Dialkylarylamine - M-xylene - Xylene - Organosulfonic acid amide - 1,3-thiazol-2-amine - Organosulfonic acid or derivatives - Azole - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Thiazole - Sulfonyl - Heteroaromatic compound - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - 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