Compound Identification
SMILES
COC1=C(O)C(=CC(Br)=C1)C1NC2=C(C3=C(C[NH+](C)CC3)S2)C(=O)N1
InChIKey
InChIKey=BNJJEGJYFCYZKL-UHFFFAOYSA-O
Formula
C17H19BrN3O3S
Mass
425.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Methoxyphenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Methoxyphenols
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyphenols
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Anisoles Phenoxy compounds P-bromophenols Methoxybenzenes Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Heteroaromatic compounds Vinylogous amides Quaternary ammonium salts Lactams Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Methoxyphenol - 3,4,5-trisubstituted-2-aminothiophene - Anisole - Phenoxy compound - 4-halophenol - 4-bromophenol - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - 2-aminothiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Quaternary ammonium salt - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Lactam - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors
Not available