N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3C#N)OC1

InChI

InChI=1S/C18H16N2O3S/c19-11-13-4-1-2-5-15(13)20-18(21)12-24-14-6-7-16-17(10-14)23-9-3-8-22-16/h1-2,4-7,10H,3,8-9,12H2,(H,20,21)