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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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