1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-(3,3-diphenylpropyl)piperidine-2-carbothioic S-acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-(3,3-diphenylpropyl)piperidine-2-carbothioic S-acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-(3,3-diphenylpropyl)piperidine-2-carbothioic S-acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-(3,3-diphenylpropyl)-2-piperidinecarbothioic S-acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-2-(3,3-diphenylpropyl)piperidine-2-carbothioic S-acid Traditional Name: 2-(3,3-diphenylpropyl)-1-(2-keto-3,3-dimethyl-pentanoyl)thiopipecolinic acid Formula: C28H35NO3S MolecularWeight: 465.6474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)S

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C28H35NO3S/c1-4-27(2,3)24(30)25(31)29-20-12-11-18-28(29,26(32)33)19-17-23(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,23H,4,11-12,17-20H2,1-3H3,(H,32,33)