N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-(phenylmethyl)-3-sulfanyl-propanamide

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-(phenylmethyl)-3-sulfanyl-propanamide Openeye Name: 2-benzyl-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-sulfanyl-propanamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(mercaptomethyl)-3-phenylpropanamide IUPAC Name: 2-benzyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-sulfanylpropanamide Traditional Name: 2-benzyl-3-mercapto-N-vanillyl-propionamide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C(CC2=CC=CC=C2)CS)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C(CC2=CC=CC=C2)CS)O

InChI

InChI=1S/C18H21NO3S/c1-22-17-10-14(7-8-16(17)20)11-19-18(21)15(12-23)9-13-5-3-2-4-6-13/h2-8,10,15,20,23H,9,11-12H2,1H3,(H,19,21)