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

Systemtic Name: 4-methyl-3-[(4-methylphenyl)methylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-(p-tolylmethylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-methylphenyl)methylcarbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(4-methylbenzyl)thiocarbamoylamino]benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-11-3-6-13(7-4-11)10-18-17(22)19-15-9-14(16(20)21)8-5-12(15)2/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,22)