2-[4-[(phenylmethyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(phenylmethyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-(benzylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(benzylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(benzylthiocarbamoylamino)phenyl]acetic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c19-15(20)10-12-6-8-14(9-7-12)18-16(21)17-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20)(H2,17,18,21)