methyl 4-[(3-phenylsulfanylpropylcarbamoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(3-phenylsulfanylpropylcarbamoylamino)methyl]benzoate Openeye Name: methyl 4-[(3-phenylsulfanylpropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-[3-(phenylthio)propylamino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-phenylsulfanylpropylcarbamoylamino)methyl]benzoate Traditional Name: 4-[[3-(phenylthio)propylcarbamoylamino]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)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCCSC2=CC=CC=C2

InChI

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