S-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl] 7-tert-butyl-6-oxidanyl-2,3-dihydro-1,4-benzodioxine-3-carbothioate

Systemtic Name: S-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl] 7-tert-butyl-6-oxidanyl-2,3-dihydro-1,4-benzodioxine-3-carbothioate Openeye Name: S-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl] 7-tert-butyl-6-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carbothioate CAS Name: 7-tert-butyl-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-carbothioic acid S-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl] ester IUPAC Name: S-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl] 7-tert-butyl-6-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carbothioate Traditional Name: 7-tert-butyl-6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-carbothioic acid S-[4-[bis(4-fluorophenyl)methyl]piperazino] ester Formula: C30H32F2N2O4S MolecularWeight: 554.647886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1O)OC(CO2)C(=O)SN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1O)OC(CO2)C(=O)SN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H32F2N2O4S/c1-30(2,3)23-16-25-26(17-24(23)35)38-27(18-37-25)29(36)39-34-14-12-33(13-15-34)28(19-4-8-21(31)9-5-19)20-6-10-22(32)11-7-20/h4-11,16-17,27-28,35H,12-15,18H2,1-3H3