2-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoate Formula: C18H17N2O6S- MolecularWeight: 389.40238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2C(=O)[O-]

InChI

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