methyl 4-[(2-phenylsulfanylethylcarbamoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-phenylsulfanylethylcarbamoylamino)methyl]benzoate Openeye Name: methyl 4-[(2-phenylsulfanylethylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-[2-(phenylthio)ethylamino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-phenylsulfanylethylcarbamoylamino)methyl]benzoate Traditional Name: 4-[[2-(phenylthio)ethylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCSC2=CC=CC=C2

InChI

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