3-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-carbethoxyphenyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H16N2O4S/c1-2-23-16(22)11-6-8-13(9-7-11)18-17(24)19-14-5-3-4-12(10-14)15(20)21/h3-10H,2H2,1H3,(H,20,21)(H2,18,19,24)