1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C16H14BrFN2O2S MolecularWeight: 397.261963

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NCC3=CC(=C(C=C3)F)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NCC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C16H14BrFN2O2S/c17-12-7-10(1-3-13(12)18)9-19-16(23)20-11-2-4-14-15(8-11)22-6-5-21-14/h1-4,7-8H,5-6,9H2,(H2,19,20,23)