2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(4-fluorobenzyl)propionamide Formula: C19H19BrFNO3S MolecularWeight: 440.326463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H19BrFNO3S/c1-12(19(23)22-10-13-2-4-15(21)5-3-13)26-11-14-8-17-18(9-16(14)20)25-7-6-24-17/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,22,23)