2-[4-[(3-methylphenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-methylphenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-(m-tolylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(3-methylanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-methylphenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-(m-tolylthiocarbamoylamino)phenyl]acetic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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