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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C

InChI

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