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

Systemtic Name: 2-[4-[(4-methylphenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-(p-tolylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(4-methylphenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-(p-tolylthiocarbamoylamino)phenyl]acetic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C16H16N2O2S/c1-11-2-6-13(7-3-11)17-16(21)18-14-8-4-12(5-9-14)10-15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)