2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylmethanoate

Systemtic Name: 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylmethanoate Openeye Name: 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylformate CAS Name: [(4-fluorophenyl)thio]formic acid 2-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylformate Traditional Name: [(4-fluorophenyl)thio]formic acid 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]ethyl ester Formula: C27H34FN3O2S MolecularWeight: 483.641163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC(=O)SC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC(=O)SC3=CC=C(C=C3)F

InChI

InChI=1S/C27H34FN3O2S/c1-3-4-5-6-26(22-7-8-23(20-29)21(2)19-22)31-15-13-30(14-16-31)17-18-33-27(32)34-25-11-9-24(28)10-12-25/h7-12,19,26H,3-6,13-18H2,1-2H3