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

Systemtic Name: 3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoate Formula: C18H17N2O6S- MolecularWeight: 389.40238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-24-13-8-11(9-14(25-2)15(13)26-3)16(21)20-18(27)19-12-6-4-5-10(7-12)17(22)23/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,27)/p-1