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

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S2/c1-2-11-28(25,26)23-10-9-15-3-6-18(12-16(15)13-23)22-20(24)14-27-19-7-4-17(21)5-8-19/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,24)