methyl 6-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C18H26FN3O2S MolecularWeight: 367.481343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O2S/c1-24-17(23)5-3-2-4-10-20-18(25)22-13-11-21(12-14-22)16-8-6-15(19)7-9-16/h6-9H,2-5,10-14H2,1H3,(H,20,25)