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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=C(C=C3)Br

InChI

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