N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(o-tolylthio)acetamide Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23NO3S/c1-14-6-3-4-7-19(14)25-13-20(22)21-15(2)16-8-9-17-18(12-16)24-11-5-10-23-17/h3-4,6-9,12,15H,5,10-11,13H2,1-2H3,(H,21,22)