Compound Identification
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N1CC[NH+](CC2=CSC=C2)CC1
InChIKey
InChIKey=PCBTYRXRYLOXTQ-UHFFFAOYSA-O
Formula
C21H28N3O3S
Mass
402.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylcarbamic acid esters
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Phenylcarbamic acid esters
Alternative Parents
Benzamides Benzoyl derivatives N-alkylpiperazines Aralkylamines Thiophenes Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylcarbamic acid ester - Benzamide - Benzoic acid or derivatives - Benzoyl - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiophene - Carbamic acid ester - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
External Descriptors
Not available