O-(1,5-diphenylpentan-3-yl) 1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidine-2-carbothioate

Systemtic Name: O-(1,5-diphenylpentan-3-yl) 1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidine-2-carbothioate Openeye Name: O-(1-phenethyl-3-phenyl-propyl) 1-(2-oxo-2-phenyl-acetyl)piperidine-2-carbothioate CAS Name: 1-(1,2-dioxo-2-phenylethyl)-2-piperidinecarbothioic acid O-(1,5-diphenylpentan-3-yl) ester IUPAC Name: O-(1,5-diphenylpentan-3-yl) 1-(2-oxo-2-phenylacetyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-2-phenyl-acetyl)piperidine-2-carbothioic acid O-(1-phenethyl-3-phenyl-propyl) ester Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=S)OC(CCC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=S)OC(CCC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H33NO3S/c33-29(26-16-8-3-9-17-26)30(34)32-23-11-10-18-28(32)31(36)35-27(21-19-24-12-4-1-5-13-24)22-20-25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2