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

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20BrNO3S/c1-13(14-3-5-15(20)6-4-14)21-19(22)12-25-16-7-8-17-18(11-16)24-10-2-9-23-17/h3-8,11,13H,2,9-10,12H2,1H3,(H,21,22)