ethyl 4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H28N2O6S/c1-5-28-18-13-16(14-19(29-6-2)20(18)30-7-3)21(26)25-23(32)24-17-11-9-15(10-12-17)22(27)31-8-4/h9-14H,5-8H2,1-4H3,(H2,24,25,26,32)