N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]acetamide Formula: C21H18BrFN2O3S MolecularWeight: 477.346623

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CNC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CNC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H18BrFN2O3S/c22-15-10-17-18(28-8-7-27-17)11-16(15)25-20(26)12-24-21(19-2-1-9-29-19)13-3-5-14(23)6-4-13/h1-6,9-11,21,24H,7-8,12H2,(H,25,26)