1-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(dimethylamino)-2-(2-thienyl)ethyl]urea CAS Name: 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea Traditional Name: 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(dimethylamino)-2-(2-thienyl)ethyl]urea Formula: C17H20BrN3O3S MolecularWeight: 426.328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)NC1=CC2=C(C=C1Br)OCCO2)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)NC1=CC2=C(C=C1Br)OCCO2)C3=CC=CS3

InChI

InChI=1S/C17H20BrN3O3S/c1-21(2)13(16-4-3-7-25-16)10-19-17(22)20-12-9-15-14(8-11(12)18)23-5-6-24-15/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,19,20,22)