2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-[(1S)-1-methylpropyl]acetamide Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CC[C@H](C)NC(=O)CSCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C14H18BrNO3S/c1-3-9(2)16-14(17)7-20-6-10-4-12-13(5-11(10)15)19-8-18-12/h4-5,9H,3,6-8H2,1-2H3,(H,16,17)/t9-/m0/s1