Compound Identification
SMILES
CC1=C(C)C(C(N)=O)=C(NC(=S)NC(=O)C2=CC(I)=C(C)C=C2)S1
InChIKey
InChIKey=ZXLGESPSKMKDOJ-UHFFFAOYSA-N
Formula
C16H16IN3O2S2
Mass
473.35
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
p-Toluamides Thiophene carboxamides Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous amides Heteroaromatic compounds Thioureas Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - P-toluamide - Toluamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Benzoyl - Toluene - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Thiourea - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - 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 heteromonocyclic 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