Compound Identification
SMILES
C1CCOC1.O=C(NN1C(C2=C(NC1=S)SC1=C2CCCC1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=FLBZKTJPXYOZNA-UHFFFAOYSA-N
Formula
C27H29N3O2S2
Mass
491.67
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
Benzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Pyrimidinethiones 2-Thiopyrimidines Thiosemicarbazides Thiophenes Oxolanes Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzoic acid or derivatives - Benzoyl - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidine - Oxolane - Heteroaromatic compound - Thiophene - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available