2-[4-(1-phenylethylcarbamothioylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(1-phenylethylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(1-phenylethylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(1-phenylethylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(1-phenylethylthiocarbamoylamino)phenyl]acetic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C17H18N2O2S/c1-12(14-5-3-2-4-6-14)18-17(22)19-15-9-7-13(8-10-15)11-16(20)21/h2-10,12H,11H2,1H3,(H,20,21)(H2,18,19,22)