Compound Identification
SMILES
COC1=C(Br)C=C(Br)C=C1C=CC(=O)NC(=S)NNC(=O)C1=CC=CS1
InChIKey
InChIKey=BPRVHCCSOWVCGK-UHFFFAOYSA-N
Formula
C16H13Br2N3O3S2
Mass
519.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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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
Anisoles Methoxybenzenes Phenoxy compounds Styrenes Thiophene carboxamides Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Thiosemicarbazides Carboxylic acid hydrazides Organobromides Organic oxides Hydrocarbon derivatives Organosulfur compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Styrene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Thiosemicarbazide - Carboxylic acid hydrazide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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