2-[4-[(3,5-dimethylphenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3,5-dimethylphenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3,5-dimethylphenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3,5-dimethylphenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3,5-dimethylphenyl)thiocarbamoylamino]phenyl]acetic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-11-7-12(2)9-15(8-11)19-17(22)18-14-5-3-13(4-6-14)10-16(20)21/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,22)