2-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbothioylphenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]carbothioylphenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(2-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(2-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(2-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-1-pyrrolidino-ethanone Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H26FN3O2S/c24-20-5-1-2-6-21(20)25-13-15-27(16-14-25)23(30)18-7-9-19(10-8-18)29-17-22(28)26-11-3-4-12-26/h1-2,5-10H,3-4,11-17H2