Compound Identification
SMILES
COC1=C(Br)C=C(Br)C=C1C=CC(=O)NC(=S)NC1=NC2=C(S1)C=C(C)C(Cl)=C2
InChIKey
InChIKey=HIZGKSMCOBGCFB-UHFFFAOYSA-N
Formula
C19H14Br2ClN3O2S2
Mass
575.72
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
-
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
Benzothiazoles Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Thiazoles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Thiourea - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organooxygen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organobromide - Organosulfur compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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