S-(1,5-diphenylpentan-3-yl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate

Systemtic Name: S-(1,5-diphenylpentan-3-yl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-(1-phenethyl-3-phenyl-propyl) 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic acid S-(1,5-diphenylpentan-3-yl) ester IUPAC Name: S-(1,5-diphenylpentan-3-yl) 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbothioic acid S-(1-phenethyl-3-phenyl-propyl) ester Formula: C30H39NO3S MolecularWeight: 493.70056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SC(CCC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SC(CCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C30H39NO3S/c1-4-30(2,3)27(32)28(33)31-22-12-11-17-26(31)29(34)35-25(20-18-23-13-7-5-8-14-23)21-19-24-15-9-6-10-16-24/h5-10,13-16,25-26H,4,11-12,17-22H2,1-3H3