(phenylmethyl) 2-[2-(phenylmethyl)pentanethioylamino]hexanoate

Systemtic Name: (phenylmethyl) 2-[2-(phenylmethyl)pentanethioylamino]hexanoate Openeye Name: benzyl 2-(2-benzylpentanethioylamino)hexanoate CAS Name: 2-[[2-(phenylmethyl)-1-sulfanylidenepentyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-benzylpentanethioylamino)hexanoate Traditional Name: 2-(2-benzylpentanethioylamino)hexanoic acid benzyl ester Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=S)C(CCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=S)C(CCC)CC2=CC=CC=C2

InChI

InChI=1S/C25H33NO2S/c1-3-5-17-23(25(27)28-19-21-15-10-7-11-16-21)26-24(29)22(12-4-2)18-20-13-8-6-9-14-20/h6-11,13-16,22-23H,3-5,12,17-19H2,1-2H3,(H,26,29)