N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C19H18N2O3S2 MolecularWeight: 386.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3SCC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3SCC#N)OC1

InChI

InChI=1S/C19H18N2O3S2/c20-8-11-25-18-5-2-1-4-15(18)21-19(22)13-26-14-6-7-16-17(12-14)24-10-3-9-23-16/h1-2,4-7,12H,3,9-11,13H2,(H,21,22)