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

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O2S/c1-2-20(25)23-10-9-14-3-6-17(11-15(14)12-23)22-19(24)13-26-18-7-4-16(21)5-8-18/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,24)