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

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H21BrN2O3S MolecularWeight: 425.33994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21BrN2O3S/c1-2-21(11-14-5-7-17(19)25-14)12-18(22)20-13-4-6-15-16(10-13)24-9-3-8-23-15/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,20,22)