CHEBI:105238 - 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
ChEBI ID CHEBI:105238
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H23N3O2S
Net Charge 0
Average Mass 381.493
Monoisotopic Mass 381.15110
InChI InChI=1S/C21H23N3O2S/c1-3-26-16-8-6-7-15(11-16)24-20(25)13-27-21-19(12-22)18-10-5-4-9-17(18)14(2)23-21/h6-8,11H,3-5,9-10,13H2,1-2H3,(H,24,25)
InChIKey LPEJECVDLDVRQG-UHFFFAOYSA-N
SMILES CCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C
ChEBI Ontology
Outgoing 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide (CHEBI:105238) is a anilide (CHEBI:13248)
Manual Xref Database
LSM-16601 LINCS
View more database links