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

Systemtic Name: 3-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoate Formula: C21H23N2O6S- MolecularWeight: 431.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)19(24)23-21(30)22-15-9-7-8-13(10-15)20(25)26/h7-12H,4-6H2,1-3H3,(H,25,26)(H2,22,23,24,30)/p-1