4-[(5-bromanylthiophen-2-yl)methoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-benzamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-benzamide Openeye Name: 4-[(5-bromo-2-thienyl)methoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-benzamide CAS Name: 4-[(5-bromo-2-thiophenyl)methoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxybenzamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxybenzamide Traditional Name: 4-[(5-bromo-2-thienyl)methoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-benzamide Formula: C22H20BrNO5S MolecularWeight: 490.3669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)OCC4=CC=C(S4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)OCC4=CC=C(S4)Br

InChI

InChI=1S/C22H20BrNO5S/c1-26-19-11-14(3-6-17(19)29-13-16-5-8-21(23)30-16)22(25)24-15-4-7-18-20(12-15)28-10-2-9-27-18/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,25)