3-[(4-bromanyl-2-fluoranyl-phenyl)methyl-phenyl-amino]propanethioamide

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl-phenyl-amino]propanethioamide Openeye Name: 3-[N-[(4-bromo-2-fluoro-phenyl)methyl]anilino]propanethioamide CAS Name: 3-[N-[(4-bromo-2-fluorophenyl)methyl]anilino]propanethioamide IUPAC Name: 3-[N-[(4-bromo-2-fluorophenyl)methyl]anilino]propanethioamide Traditional Name: 3-(N-(4-bromo-2-fluoro-benzyl)anilino)thiopropionamide Formula: C16H16BrFN2S MolecularWeight: 367.279043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=S)N)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=S)N)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H16BrFN2S/c17-13-7-6-12(15(18)10-13)11-20(9-8-16(19)21)14-4-2-1-3-5-14/h1-7,10H,8-9,11H2,(H2,19,21)