1-[3-(2-bromanyl-4-fluoranyl-phenyl)sulfanylpropyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

Systemtic Name: 1-[3-(2-bromanyl-4-fluoranyl-phenyl)sulfanylpropyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Openeye Name: 1-[3-(2-bromo-4-fluoro-phenyl)sulfanylpropyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine CAS Name: 1-[3-[(2-bromo-4-fluorophenyl)thio]propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine IUPAC Name: 1-[3-(2-bromo-4-fluorophenyl)sulfanylpropyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Traditional Name: 1-[3-[(2-bromo-4-fluoro-phenyl)thio]propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Formula: C21H24BrFN2O2S MolecularWeight: 467.394863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=C(C=C(C=C2)F)Br)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CCCSC2=C(C=C(C=C2)F)Br)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C21H24BrFN2O2S/c22-17-15-16(23)5-6-20(17)28-14-2-7-24-8-10-25(11-9-24)18-3-1-4-19-21(18)27-13-12-26-19/h1,3-6,15H,2,7-14H2