2-chloranyl-4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(3,5-dimethoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl)OC

InChI

InChI=1S/C17H15ClN2O5S/c1-24-11-5-9(6-12(8-11)25-2)15(21)20-17(26)19-10-3-4-13(16(22)23)14(18)7-10/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,26)