N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-[(4-fluorophenyl)thio]acetamide Formula: C23H23FN2OS2 MolecularWeight: 426.569923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)CSC3=CC=C(C=C3)F)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)CSC3=CC=C(C=C3)F)C4=CSC=C4

InChI

InChI=1S/C23H23FN2OS2/c24-20-5-7-21(8-6-20)29-16-23(27)25-13-22(19-10-12-28-15-19)26-11-9-17-3-1-2-4-18(17)14-26/h1-8,10,12,15,22H,9,11,13-14,16H2,(H,25,27)