4-methyl-3-[(4-methylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-methylphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-(p-tolylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[(4-methylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-methylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-(p-tolylthiocarbamoylamino)benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-10-3-7-13(8-4-10)17-16(21)18-14-9-12(15(19)20)6-5-11(14)2/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)