2-[(2-bromophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(2-bromophenyl)methylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(2-bromobenzyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3Br)OC1

InChI

InChI=1S/C18H18BrNO3S/c19-15-5-2-1-4-13(15)11-24-12-18(21)20-14-6-7-16-17(10-14)23-9-3-8-22-16/h1-2,4-7,10H,3,8-9,11-12H2,(H,20,21)