ethyl 4-(1-phenylethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1-phenylethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1-phenylethylcarbamothioylamino)benzoate CAS Name: 4-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-phenylethylcarbamothioylamino)benzoate Traditional Name: 4-(1-phenylethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-3-22-17(21)15-9-11-16(12-10-15)20-18(23)19-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H2,19,20,23)