3-[(4-ethylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-ethylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-ethylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-ethylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-ethylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-2-11-6-8-12(9-7-11)15(20)19-17(23)18-14-5-3-4-13(10-14)16(21)22/h3-10H,2H2,1H3,(H,21,22)(H2,18,19,20,23)