2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanyl-N-(phenylmethyl)ethanamide; iron(2+)

Systemtic Name: 2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanyl-N-(phenylmethyl)ethanamide; iron(2+) Openeye Name: ferrous N-benzyl-2-(3-cyclopentyl-3-oxo-propyl)sulfanyl-acetamide CAS Name: 2-[(3-cyclopentyl-3-oxopropyl)thio]-N-(phenylmethyl)acetamide; iron(2+) IUPAC Name: N-benzyl-2-(3-cyclopentyl-3-oxopropyl)sulfanylacetamide; iron(2+) Traditional Name: ferrous N-benzyl-2-[(3-cyclopentyl-3-keto-propyl)thio]acetamide Formula: C34H36FeN2O4S2+2 MolecularWeight: 656.63564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.C1=CC=C(C=C1)CNC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.C1=CC=C(C=C1)CNC(=O)CSCCC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

InChI

InChI=1S/2C17H18NO2S.Fe/c2*19-16(15-8-4-5-9-15)10-11-21-13-17(20)18-12-14-6-2-1-3-7-14;/h2*1-9H,10-13H2,(H,18,20);/q;;+2