Compound Identification
SMILES
C[C@H]1CN([C@H](C)CN1CC1=CC=C(F)C=C1)C(=O)\C=C\C1=CC2=NSN=C2C(Cl)=C1
InChIKey
InChIKey=TXKACNZTVPBGTE-YKHJJTLOSA-N
Formula
C22H22ClFN4OS
Mass
444.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Benzothiadiazoles Benzylamines Phenylmethylamines Styrenes Aralkylamines N-alkylpiperazines Fluorobenzenes Aryl fluorides Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Thiadiazoles Amino acids and derivatives Trialkylamines Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 2,1,3-benzothiadiazole - Phenylmethylamine - Styrene - Benzylamine - Halobenzene - Fluorobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Aryl halide - Aryl fluoride - Piperazine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Azole - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available