1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-3-[(4-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-3-[(4-fluorophenyl)thio]propan-1-one Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN2O3S/c23-18-2-4-19(5-3-18)29-14-7-22(26)25-10-8-24(9-11-25)16-17-1-6-20-21(15-17)28-13-12-27-20/h1-6,15H,7-14,16H2