1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-(1,1-diphenylpropyl)piperidine-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-(1,1-diphenylpropyl)piperidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-(1,1-diphenylpropyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-(1,1-diphenylpropyl)-2-piperidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-(1,1-diphenylpropyl)piperidine-2-carbothioate Traditional Name: 3-(1,1-diphenylpropyl)-1-(2-keto-3,3-dimethyl-pentanoyl)thiopipecolinate Formula: C28H34NO3S- MolecularWeight: 464.63946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC(C1C(=S)[O-])C(CC)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC(C1C(=S)[O-])C(CC)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H35NO3S/c1-5-27(3,4)24(30)25(31)29-19-13-18-22(23(29)26(32)33)28(6-2,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17,22-23H,5-6,13,18-19H2,1-4H3,(H,32,33)/p-1