2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3-phenylpropyl)acetamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)NCCCC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NCCCC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C21H24ClNO3S/c22-18-12-17(13-19-21(18)26-11-5-10-25-19)14-27-15-20(24)23-9-4-8-16-6-2-1-3-7-16/h1-3,6-7,12-13H,4-5,8-11,14-15H2,(H,23,24)