2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioate

Systemtic Name: 2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioate Openeye Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-4-piperidyl]ethanethioate CAS Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-4-piperidinyl]ethanethioate IUPAC Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioate Traditional Name: 2-[2-keto-1-(4-phenoxybenzyl)-4-piperidyl]thioacetate Formula: C20H20NO3S- MolecularWeight: 354.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CC1CC(=S)[O-])CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)CC1CC(=S)[O-])CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c22-19-12-16(13-20(23)25)10-11-21(19)14-15-6-8-18(9-7-15)24-17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,25)/p-1