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

Systemtic Name: methyl 4-methyl-3-[(4-methylphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-methyl-3-(p-tolylmethylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-methylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-methyl-3-[(4-methylbenzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-12-4-7-14(8-5-12)11-19-18(23)20-16-10-15(17(21)22-3)9-6-13(16)2/h4-10H,11H2,1-3H3,(H2,19,20,23)