1,4-benzodioxin-3-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methanethione

Systemtic Name: 1,4-benzodioxin-3-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methanethione Openeye Name: 1,4-benzodioxin-3-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methanethione CAS Name: 1,4-benzodioxin-3-yl-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methanethione IUPAC Name: 1,4-benzodioxin-3-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methanethione Traditional Name: 1,4-benzodioxin-3-yl-[4-[bis(4-fluorophenyl)methyl]piperazino]methanethione Formula: C26H22F2N2O2S MolecularWeight: 464.526886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)C4=COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)C4=COC5=CC=CC=C5O4

InChI

InChI=1S/C26H22F2N2O2S/c27-20-9-5-18(6-10-20)25(19-7-11-21(28)12-8-19)29-13-15-30(16-14-29)26(33)24-17-31-22-3-1-2-4-23(22)32-24/h1-12,17,25H,13-16H2