2-[4-(phenethylcarbamothioyl)phenoxy]ethanoate

Systemtic Name: 2-[4-(phenethylcarbamothioyl)phenoxy]ethanoate Openeye Name: 2-[4-(phenethylcarbamothioyl)phenoxy]acetate CAS Name: 2-[4-[(phenethylamino)-sulfanylidenemethyl]phenoxy]acetate IUPAC Name: 2-[4-(phenethylcarbamothioyl)phenoxy]acetate Traditional Name: 2-[4-(phenethylthiocarbamoyl)phenoxy]acetate Formula: C17H16NO3S- MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)C2=CC=C(C=C2)OCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)C2=CC=C(C=C2)OCC(=O)[O-]

InChI

InChI=1S/C17H17NO3S/c19-16(20)12-21-15-8-6-14(7-9-15)17(22)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,22)(H,19,20)/p-1