methyl 2-[(4-methylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(4-methylphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 2-(p-tolylmethylcarbamothioylamino)benzoate CAS Name: 2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 2-[(4-methylbenzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2C(=O)OC

InChI

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