methyl 4-[[2-(phenylmethylsulfanyl)ethylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(phenylmethylsulfanyl)ethylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[(2-benzylsulfanylethylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-[2-(phenylmethylthio)ethylamino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzylsulfanylethylcarbamoylamino)methyl]benzoate Traditional Name: 4-[[2-(benzylthio)ethylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S/c1-24-18(22)17-9-7-15(8-10-17)13-21-19(23)20-11-12-25-14-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,20,21,23)