4-[(4-methylphenyl)methylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(4-methylphenyl)methylcarbamothioylamino]benzoic acid Openeye Name: 4-(p-tolylmethylcarbamothioylamino)benzoic acid CAS Name: 4-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(4-methylphenyl)methylcarbamothioylamino]benzoic acid Traditional Name: 4-[(4-methylbenzyl)thiocarbamoylamino]benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-11-2-4-12(5-3-11)10-17-16(21)18-14-8-6-13(7-9-14)15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)