2-[2-(3-methylphenyl)ethanethioylamino]benzoic acid

Systemtic Name: 2-[2-(3-methylphenyl)ethanethioylamino]benzoic acid Openeye Name: 2-[[2-(m-tolyl)ethanethioyl]amino]benzoic acid CAS Name: 2-[[2-(3-methylphenyl)-1-sulfanylideneethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-methylphenyl)ethanethioyl]amino]benzoic acid Traditional Name: 2-[[2-(m-tolyl)thioacetyl]amino]benzoic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(=S)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO2S/c1-11-5-4-6-12(9-11)10-15(20)17-14-8-3-2-7-13(14)16(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19)