N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(phenylthio)butanamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(phenylthio)butyramide Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CCCSC3=CC=CC=C3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CCCSC3=CC=CC=C3)OCO2

InChI

InChI=1S/C19H19NO4S/c1-13(21)15-10-17-18(24-12-23-17)11-16(15)20-19(22)8-5-9-25-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,22)