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

Systemtic Name: 2-chloranyl-5-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-chloro-5-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-5-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-(veratroylthiocarbamoylamino)benzoate Formula: C17H14ClN2O5S- MolecularWeight: 393.82146

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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)Cl)C(=O)[O-])OC

Isomeric SMILES

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

InChI

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