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

Systemtic Name: N-(2-bromophenyl)-2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetamide Traditional Name: N-(2-bromophenyl)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetamide Formula: C18H17BrClNO3S MolecularWeight: 442.75448

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC=C3Br)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC=C3Br)Cl)OC1

InChI

InChI=1S/C18H17BrClNO3S/c19-13-4-1-2-5-15(13)21-17(22)11-25-10-12-8-14(20)18-16(9-12)23-6-3-7-24-18/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,22)