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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(phenylthio)acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-phenylsulfanylacetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(phenylthio)acetamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C18H18ClNO3S/c19-15-9-13(10-16-18(15)23-8-4-7-22-16)11-20-17(21)12-24-14-5-2-1-3-6-14/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,20,21)