Compound Identification
SMILES
COC1=C(I)C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC1=C(C)C=CC(C)=C1
InChIKey
InChIKey=CWHPGIUPNUCDAE-UHFFFAOYSA-N
Formula
C21H23IN4O4S
Mass
554.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Anilides Phenoxy compounds N-arylamides Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Alkyl aryl ethers N-acyl amines Vinyl iodides Iodoalkenes Carboxylic acid amides Organosulfur compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Anilide - Phenoxy compound - Methoxybenzene - N-arylamide - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Alkyl aryl ether - Fatty acyl - N-acyl-amine - Fatty amide - Carboxamide group - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available