methyl 3-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzoate Openeye Name: methyl 3-(2-benzylsulfanylethylcarbamoylamino)benzoate CAS Name: 3-[[oxo-[2-(phenylmethylthio)ethylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(2-benzylsulfanylethylcarbamoylamino)benzoate Traditional Name: 3-[2-(benzylthio)ethylcarbamoylamino]benzoic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3S/c1-23-17(21)15-8-5-9-16(12-15)20-18(22)19-10-11-24-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,19,20,22)