N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H23FN2O3S MolecularWeight: 438.514423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCSCC4=CC=CC=C4F

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NCCSCC4=CC=CC=C4F

InChI

InChI=1S/C24H23FN2O3S/c25-20-9-4-3-8-19(20)16-31-13-11-26-23(28)21-14-17-6-1-2-7-18(17)15-27(21)24(29)22-10-5-12-30-22/h1-10,12,21H,11,13-16H2,(H,26,28)