2-[4-(phenethylcarbamothioylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(phenethylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(phenethylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(phenethylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(phenethylthiocarbamoylamino)phenyl]acetic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c20-16(21)12-14-6-8-15(9-7-14)19-17(22)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,21)(H2,18,19,22)