Compound Identification
SMILES
[O-][N+](=O)C1=C(Cl)C=CC(C=CC(=O)NC(=S)NNC(=O)C2=CC=CS2)=C1
InChIKey
InChIKey=BPSUXYIEDKOZCG-UHFFFAOYSA-N
Formula
C15H11ClN4O4S2
Mass
410.85
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
Nitrobenzenes Thiophene carboxamides Styrenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organosulfur compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Styrene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Thiosemicarbazide - Thiophene - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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