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

Systemtic Name: S-ethyl (2S,3S,4R)-6-oxidanylidene-1,2,4-triphenyl-piperidine-3-carbothioate Openeye Name: S-ethyl (2S,3S,4R)-6-oxo-1,2,4-triphenyl-piperidine-3-carbothioate CAS Name: (2S,3S,4R)-6-oxo-1,2,4-triphenyl-3-piperidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3S,4R)-6-oxo-1,2,4-triphenylpiperidine-3-carbothioate Traditional Name: (2S,3S,4R)-6-keto-1,2,4-triphenyl-piperidine-3-carbothioic acid S-ethyl ester Formula: C26H25NO2S MolecularWeight: 415.5472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO2S/c1-2-30-26(29)24-22(19-12-6-3-7-13-19)18-23(28)27(21-16-10-5-11-17-21)25(24)20-14-8-4-9-15-20/h3-17,22,24-25H,2,18H2,1H3/t22-,24-,25+/m0/s1