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

Systemtic Name: S-(1,5-diphenylpentyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-(1,5-diphenylpentyl) 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-diphenylpentyl) ester IUPAC Name: S-(1,5-diphenylpentyl) 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbothioic acid S-(1,5-diphenylpentyl) 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(CCCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SC(CCCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

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