methyl 6-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C20H28FN3O3S MolecularWeight: 409.518023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCCCCC(=O)OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCCCCC(=O)OC)F

InChI

InChI=1S/C20H28FN3O3S/c1-15(25)16-7-8-18(17(21)14-16)23-10-12-24(13-11-23)20(28)22-9-5-3-4-6-19(26)27-2/h7-8,14H,3-6,9-13H2,1-2H3,(H,22,28)