Compound Identification
SMILES
CO[C@@H](CCOC(=O)CS)[C@@H](OC(=O)NC1=CC=C(SC)C=C1)C1=C(O)C=CC(Br)=C1
InChIKey
InChIKey=QBZXGFQBEQYDID-ICSRJNTNSA-N
Formula
C21H24BrNO6S2
Mass
530.45
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
Benzyloxycarbonyls Thiophenol ethers P-bromophenols 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Bromobenzenes Aryl bromides Carbamate esters Carboxylic acid esters Sulfenyl compounds Alkylthiols Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylcarbamic acid ester - Benzyloxycarbonyl - Aryl thioether - Thiophenol ether - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Alkylarylthioether - Halobenzene - Phenol - Aryl bromide - Aryl halide - Carbamic acid ester - Carboxylic acid ester - Alkylthiol - Carboxylic acid derivative - Sulfenyl compound - Dialkyl ether - Ether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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