3-(2-oxidanylidene-2-phenyl-ethanoyl)-5-pentyl-2,2-diphenyl-piperidine-1-carbothioic S-acid

Systemtic Name: 3-(2-oxidanylidene-2-phenyl-ethanoyl)-5-pentyl-2,2-diphenyl-piperidine-1-carbothioic S-acid Openeye Name: 3-(2-oxo-2-phenyl-acetyl)-5-pentyl-2,2-diphenyl-piperidine-1-carbothioic S-acid CAS Name: 3-(1,2-dioxo-2-phenylethyl)-5-pentyl-2,2-diphenyl-1-piperidinecarbothioic S-acid IUPAC Name: 3-(2-oxo-2-phenylacetyl)-5-pentyl-2,2-diphenylpiperidine-1-carbothioic S-acid Traditional Name: 5-amyl-3-(2-keto-2-phenyl-acetyl)-2,2-diphenyl-piperidine-1-carbothioic S-acid Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(C(N(C1)C(=O)S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1CC(C(N(C1)C(=O)S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H33NO3S/c1-2-3-7-14-23-21-27(29(34)28(33)24-15-8-4-9-16-24)31(32(22-23)30(35)36,25-17-10-5-11-18-25)26-19-12-6-13-20-26/h4-6,8-13,15-20,23,27H,2-3,7,14,21-22H2,1H3,(H,35,36)