S-ethyl (2S,3S,4R)-1-(4-chlorophenyl)-6-oxidanylidene-2,4-diphenyl-piperidine-3-carbothioate

Systemtic Name: S-ethyl (2S,3S,4R)-1-(4-chlorophenyl)-6-oxidanylidene-2,4-diphenyl-piperidine-3-carbothioate Openeye Name: S-ethyl (2S,3S,4R)-1-(4-chlorophenyl)-6-oxo-2,4-diphenyl-piperidine-3-carbothioate CAS Name: (2S,3S,4R)-1-(4-chlorophenyl)-6-oxo-2,4-diphenyl-3-piperidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3S,4R)-1-(4-chlorophenyl)-6-oxo-2,4-diphenylpiperidine-3-carbothioate Traditional Name: (2S,3S,4R)-1-(4-chlorophenyl)-6-keto-2,4-diphenyl-piperidine-3-carbothioic acid S-ethyl ester Formula: C26H24ClNO2S MolecularWeight: 449.99226

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1C(CC(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCSC(=O)[C@H]1[C@@H](CC(=O)N([C@@H]1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClNO2S/c1-2-31-26(30)24-22(18-9-5-3-6-10-18)17-23(29)28(21-15-13-20(27)14-16-21)25(24)19-11-7-4-8-12-19/h3-16,22,24-25H,2,17H2,1H3/t22-,24-,25+/m0/s1