Compound Identification
SMILES
COC1=C(OC)C=C(C[NH+]2CCN(CC2)C(=O)C2=CC3=C(CCCCC3)S2)C=C1
InChIKey
InChIKey=HHNAULJJWGVYCG-UHFFFAOYSA-O
Formula
C23H31N2O3S
Mass
415.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Dimethoxybenzenes 2,3,5-trisubstituted thiophenes Thiophene carboxamides 2-heteroaryl carboxamides Anisoles Phenylmethylamines Phenoxy compounds Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzylamine - 2-heteroaryl carboxamide - Phenol ether - Phenylmethylamine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Phenoxy compound - Methoxybenzene - N-alkylpiperazine - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Piperazine - Benzenoid - 1,4-diazinane - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Quaternary ammonium salt - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available