4-[(2-ethylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(2-ethylphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(2-ethylphenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(2-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-ethylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(2-ethylphenyl)thiocarbamoylamino]benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16N2O2S/c1-2-11-5-3-4-6-14(11)18-16(21)17-13-9-7-12(8-10-13)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)