methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(hydrocinnamoylthiocarbamoylamino)benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-23-17(22)14-8-10-15(11-9-14)19-18(24)20-16(21)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3,(H2,19,20,21,24)