ethyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(hydrocinnamoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O3S/c1-2-24-18(23)15-9-6-10-16(13-15)20-19(25)21-17(22)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H2,20,21,22,25)