1-(2-bromanyl-4-fluoranyl-phenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(2-bromanyl-4-fluoranyl-phenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-(2-bromo-4-fluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(2-bromo-4-fluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-(2-bromo-4-fluoro-phenyl)-3-(3,4,5-trimethoxybenzyl)thiourea Formula: C17H18BrFN2O3S MolecularWeight: 429.303823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)NC2=C(C=C(C=C2)F)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)NC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C17H18BrFN2O3S/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-20-17(25)21-13-5-4-11(19)8-12(13)18/h4-8H,9H2,1-3H3,(H2,20,21,25)