2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(1-morpholinocyclohexyl)methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[[1-(4-morpholinyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(1-morpholinocyclohexyl)methyl]acetamide Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=CC3=C(C=C2)OCCCO3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=CC3=C(C=C2)OCCCO3)N4CCOCC4

InChI

InChI=1S/C22H32N2O4S/c25-21(16-29-18-5-6-19-20(15-18)28-12-4-11-27-19)23-17-22(7-2-1-3-8-22)24-9-13-26-14-10-24/h5-6,15H,1-4,7-14,16-17H2,(H,23,25)