2-methyl-3-[(2-methylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-methyl-3-[(2-methylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-methyl-3-[(2-methylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(2-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-(o-toluoylthiocarbamoylamino)benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-10-6-3-4-7-12(10)15(20)19-17(23)18-14-9-5-8-13(11(14)2)16(21)22/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)