[4,5-bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-pyridin-2-yl] ethanoate

Systemtic Name: [4,5-bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-pyridin-2-yl] ethanoate Openeye Name: [4,5-bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-2-pyridyl] acetate CAS Name: acetic acid [4,5-bis[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-(propylthio)-2-pyridinyl] ester IUPAC Name: [4,5-bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanylpyridin-2-yl] acetate Traditional Name: acetic acid [4,5-bis[4-(4-fluorobenzyl)piperazino]-3-(propylthio)-2-pyridyl] ester Formula: C32H39F2N5O2S MolecularWeight: 595.746166

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CN=C1OC(=O)C)N2CCN(CC2)CC3=CC=C(C=C3)F)N4CCN(CC4)CC5=CC=C(C=C5)F

Isomeric SMILES

CCCSC1=C(C(=CN=C1OC(=O)C)N2CCN(CC2)CC3=CC=C(C=C3)F)N4CCN(CC4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C32H39F2N5O2S/c1-3-20-42-31-30(39-18-14-37(15-19-39)23-26-6-10-28(34)11-7-26)29(21-35-32(31)41-24(2)40)38-16-12-36(13-17-38)22-25-4-8-27(33)9-5-25/h4-11,21H,3,12-20,22-23H2,1-2H3