ethyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(hydrocinnamoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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