methyl 3-[(4-methylphenyl)methylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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