N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(4-fluorophenyl)thio]acetamide Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FNO3S/c1-13(14-3-8-17-18(11-14)24-10-2-9-23-17)21-19(22)12-25-16-6-4-15(20)5-7-16/h3-8,11,13H,2,9-10,12H2,1H3,(H,21,22)