1-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanylcarbamoylamino]propyl benzoate

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanylcarbamoylamino]propyl benzoate Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methylsulfanylcarbamoylamino]propyl benzoate CAS Name: benzoic acid 1-[[[[(4-hydroxy-3-methoxyphenyl)methylthio]amino]-oxomethyl]amino]propyl ester IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methylsulfanylcarbamoylamino]propyl benzoate Traditional Name: benzoic acid 1-[(vanillylthio)carbamoylamino]propyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)NSCC1=CC(=C(C=C1)O)OC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(NC(=O)NSCC1=CC(=C(C=C1)O)OC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N2O5S/c1-3-17(26-18(23)14-7-5-4-6-8-14)20-19(24)21-27-12-13-9-10-15(22)16(11-13)25-2/h4-11,17,22H,3,12H2,1-2H3,(H2,20,21,24)