3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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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)