Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)C(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)N1CCOCC1
InChIKey
InChIKey=HLDAQZIAZULLQC-UHFFFAOYSA-N
Formula
C19H16Cl2N4O2S2
Mass
467.38
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
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzothiazoles Benzoyl derivatives Dialkylarylamines Dichlorobenzenes Morpholines Aryl chlorides Heteroaromatic compounds Thiazoles Amino acids and derivatives Thioureas Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Morpholine - Aryl chloride - Oxazinane - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Thiourea - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available