Compound Identification
SMILES
CCN(CC)CC.CCN1C(=O)\C(S\C1=C1\C(C)=NN(C1=O)C1=CC=C(C=C1)C(O)=O)=C1\SC2=C(C=C(OC)C=C2)N1C
InChIKey
InChIKey=QHBWCVXUWYZPFX-MYBUCKEHSA-N
Formula
C31H37N5O5S2
Mass
623.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Benzothiazoles Benzoic acids Anisoles Aryl thioethers Benzoyl derivatives Alkyl aryl ethers Pyrazolones Vinylogous amides Thiazoles Heteroaromatic compounds Trialkylamines Lactams Amino acids Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Acylaminobenzoic acid or derivatives - 1,3-benzothiazole - 1,2-benzothiazole - Benzoic acid - Benzo-thiazole - Aryl thioether - Benzoyl - Anisole - Phenol ether - Alkyl aryl ether - Pyrazolinone - Azole - Heteroaromatic compound - Pyrazoline - Vinylogous amide - Thiazole - Amino acid - Amino acid or derivatives - Tertiary amine - Lactam - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available