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

Systemtic Name: N-[[3,4-bis(oxidanyl)phenyl]methyl]-2-(phenylmethyl)-3-sulfanyl-propanamide Openeye Name: 2-benzyl-N-[(3,4-dihydroxyphenyl)methyl]-3-sulfanyl-propanamide CAS Name: N-[(3,4-dihydroxyphenyl)methyl]-2-(mercaptomethyl)-3-phenylpropanamide IUPAC Name: 2-benzyl-N-[(3,4-dihydroxyphenyl)methyl]-3-sulfanylpropanamide Traditional Name: 2-benzyl-3-mercapto-N-protocatechuyl-propionamide Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C17H19NO3S/c19-15-7-6-13(9-16(15)20)10-18-17(21)14(11-22)8-12-4-2-1-3-5-12/h1-7,9,14,19-20,22H,8,10-11H2,(H,18,21)