methyl 4-(2-phenylethanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-phenylethanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[(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=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

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