methyl 2-(2-phenylethanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(2-phenylethanoylcarbamothioylamino)benzoate Openeye Name: methyl 2-[(2-phenylacetyl)carbamothioylamino]benzoate CAS Name: 2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-phenylacetyl)carbamothioylamino]benzoate Traditional Name: 2-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3S/c1-22-16(21)13-9-5-6-10-14(13)18-17(23)19-15(20)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,18,19,20,23)