N-(2-bromanyl-4-fluoranyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(2-bromo-4-fluoro-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(2-bromo-4-fluorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-bromo-4-fluorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(2-bromo-4-fluoro-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C20H19BrFN3O3S MolecularWeight: 480.350563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=C(C=C(C=C4)F)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C20H19BrFN3O3S/c21-14-11-13(22)5-6-15(14)23-20(29)25-9-7-24(8-10-25)19(26)18-12-27-16-3-1-2-4-17(16)28-18/h1-6,11,18H,7-10,12H2,(H,23,29)