N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(2-pyridylthio)acetamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H24N2O3S/c1-14(2)20(22-18(23)13-26-19-6-3-4-9-21-19)15-7-8-16-17(12-15)25-11-5-10-24-16/h3-4,6-9,12,14,20H,5,10-11,13H2,1-2H3,(H,22,23)