1-[4-[2-bromanyl-5-[(4-fluorophenyl)methyl]thiophen-3-yl]but-3-yn-2-yl]-1-oxidanyl-urea

Systemtic Name: 1-[4-[2-bromanyl-5-[(4-fluorophenyl)methyl]thiophen-3-yl]but-3-yn-2-yl]-1-oxidanyl-urea Openeye Name: 1-[3-[2-bromo-5-[(4-fluorophenyl)methyl]-3-thienyl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea CAS Name: 1-[4-[2-bromo-5-[(4-fluorophenyl)methyl]-3-thiophenyl]but-3-yn-2-yl]-1-hydroxyurea IUPAC Name: 1-[4-[2-bromo-5-[(4-fluorophenyl)methyl]thiophen-3-yl]but-3-yn-2-yl]-1-hydroxyurea Traditional Name: 1-[3-[2-bromo-5-(4-fluorobenzyl)-3-thienyl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea Formula: C16H14BrFN2O2S MolecularWeight: 397.261963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=C(SC(=C1)CC2=CC=C(C=C2)F)Br)N(C(=O)N)O

Isomeric SMILES

CC(C#CC1=C(SC(=C1)CC2=CC=C(C=C2)F)Br)N(C(=O)N)O

InChI

InChI=1S/C16H14BrFN2O2S/c1-10(20(22)16(19)21)2-5-12-9-14(23-15(12)17)8-11-3-6-13(18)7-4-11/h3-4,6-7,9-10,22H,8H2,1H3,(H2,19,21)