Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=CC=C(C=C2)N(C)C)SC2=C1CCN(CC)C2
InChIKey
InChIKey=YILYIDOGPLPCTM-UHFFFAOYSA-N
Formula
C21H27N3O3S
Mass
401.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminobenzoic acids and derivatives
Alternative Parents
Thienopyridines Benzamides Aniline and substituted anilines Thiophene carboxylic acids and derivatives Benzoyl derivatives Dialkylarylamines Aralkylamines Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzamide - Thienopyridine - Benzoyl - Tertiary aliphatic/aromatic amine - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Vinylogous amide - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available