[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbothioyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbothioyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioyl]-2,5,7,8-tetramethyl-chroman-6-yl] acetate CAS Name: acetic acid [2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioyl]-2,5,7,8-tetramethyl-chroman-6-yl] ester Formula: C33H36F2N2O3S MolecularWeight: 578.712346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H36F2N2O3S/c1-20-21(2)31-28(22(3)30(20)39-23(4)38)14-15-33(5,40-31)32(41)37-18-16-36(17-19-37)29(24-6-10-26(34)11-7-24)25-8-12-27(35)13-9-25/h6-13,29H,14-19H2,1-5H3