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

Systemtic Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H22N2O3S/c19-13-18(7-2-1-3-8-18)20-17(21)12-24-14-5-6-15-16(11-14)23-10-4-9-22-15/h5-6,11H,1-4,7-10,12H2,(H,20,21)