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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC=C3)Cl)OC1

InChI

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