2-methyl-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-methyl-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-methyl-3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-(p-toluoylthiocarbamoylamino)benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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