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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18N2O2S/c1-12-2-4-13(5-3-12)10-18-17(22)19-11-14-6-8-15(9-7-14)16(20)21/h2-9H,10-11H2,1H3,(H,20,21)(H2,18,19,22)