4-chloranyl-3-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C17H14Cl2N2O4S/c1-2-25-14-6-4-9(7-12(14)19)15(22)21-17(26)20-13-8-10(16(23)24)3-5-11(13)18/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)