2-azanyl-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-azanyl-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-4-methylsulfanyl-butanamide Openeye Name: 2-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-methylsulfanyl-butanamide CAS Name: 2-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(methylthio)butanamide IUPAC Name: 2-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-methylsulfanylbutanamide Traditional Name: 2-amino-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(methylthio)butyramide Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC(=C(C=C1)O)O)N

Isomeric SMILES

CSCCC(C(=O)NCCC1=CC(=C(C=C1)O)O)N

InChI

InChI=1S/C13H20N2O3S/c1-19-7-5-10(14)13(18)15-6-4-9-2-3-11(16)12(17)8-9/h2-3,8,10,16-17H,4-7,14H2,1H3,(H,15,18)