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

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethyl-ethanamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethyl-acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-ethylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethylacetamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-ethyl-acetamide Formula: C18H20BrNO3S2 MolecularWeight: 442.3903

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H20BrNO3S2/c1-2-20(11-14-5-7-17(19)25-14)18(21)12-24-13-4-6-15-16(10-13)23-9-3-8-22-15/h4-7,10H,2-3,8-9,11-12H2,1H3