methyl 4-[(3,4,5-trimethoxyphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3,4,5-trimethoxyphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3,4,5-trimethoxyphenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[(3,4,5-trimethoxyphenyl)methylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,4,5-trimethoxyphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(3,4,5-trimethoxybenzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O5S/c1-23-15-9-12(10-16(24-2)17(15)25-3)11-20-19(27)21-14-7-5-13(6-8-14)18(22)26-4/h5-10H,11H2,1-4H3,(H2,20,21,27)