N-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(4-fluorophenyl)sulfanyl-phenyl]ethanamide

Systemtic Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(4-fluorophenyl)sulfanyl-phenyl]ethanamide Openeye Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-fluorophenyl)sulfanyl-phenyl]acetamide CAS Name: N-[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(4-fluorophenyl)thio]phenyl]acetamide IUPAC Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-fluorophenyl)sulfanylphenyl]acetamide Traditional Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-fluorophenyl)thio]phenyl]acetamide Formula: C24H21FN2O2S MolecularWeight: 420.499143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)SC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)SC4=CC=C(C=C4)F

InChI

InChI=1S/C24H21FN2O2S/c1-16(28)26-22-14-18(6-11-23(22)30-21-9-7-20(25)8-10-21)24(29)27-13-12-17-4-2-3-5-19(17)15-27/h2-11,14H,12-13,15H2,1H3,(H,26,28)