N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[(4-fluorophenyl)thio]acetamide Formula: C19H19FN2O2S MolecularWeight: 358.429763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O2S/c1-13(23)22-9-8-14-2-5-17(10-15(14)11-22)21-19(24)12-25-18-6-3-16(20)4-7-18/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)