Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=CSC(NC(=S)NC(=O)C=CC2=CC(=C(Cl)C=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=AYBSNZDAUCTMTC-UHFFFAOYSA-N
Formula
C21H17ClN4O5S2
Mass
504.96
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
Dimethoxybenzenes Nitrobenzenes Styrenes Phenoxy compounds Anisoles Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Halobenzene - Chlorobenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Thiourea - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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