3-(2-phenylethanoylcarbamothioylamino)benzoate

Systemtic Name: 3-(2-phenylethanoylcarbamothioylamino)benzoate Openeye Name: 3-[(2-phenylacetyl)carbamothioylamino]benzoate CAS Name: 3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(2-phenylacetyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-phenylacetyl)thiocarbamoylamino]benzoate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c19-14(9-11-5-2-1-3-6-11)18-16(22)17-13-8-4-7-12(10-13)15(20)21/h1-8,10H,9H2,(H,20,21)(H2,17,18,19,22)/p-1