Compound Identification
SMILES
COC1=CC=CC=C1C=CC(=O)NC(=S)NNC(=O)COC1=C(C)C=CC=C1C
InChIKey
InChIKey=LRNOPBWKWKVXBM-UHFFFAOYSA-N
Formula
C21H23N3O4S
Mass
413.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
m-Xylenes Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiosemicarbazides Carboxylic acid hydrazides Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Anisole - Phenol ether - Styrene - Methoxybenzene - Xylene - M-xylene - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available