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

Systemtic Name: methyl 3-[(4-methylphenyl)methylcarbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-(p-tolylmethylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)methylcarbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-methylbenzyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-12-6-8-13(9-7-12)11-19-18(24)20-16(21)14-4-3-5-15(10-14)17(22)23-2/h3-10H,11H2,1-2H3,(H2,19,20,21,24)