ethyl 4-(2-phenylethanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2-phenylethanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-2-23-17(22)14-8-10-15(11-9-14)19-18(24)20-16(21)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,19,20,21,24)