N-[3-[1-[(4-bromophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-[1-[(4-bromophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-[1-[(4-bromophenyl)carbamoyl]propylsulfanyl]phenyl]-2-fluoro-benzamide CAS Name: N-[3-[[1-(4-bromoanilino)-1-oxobutan-2-yl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-[1-(4-bromoanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[3-[1-[(4-bromophenyl)carbamoyl]propylthio]phenyl]-2-fluoro-benzamide Formula: C23H20BrFN2O2S MolecularWeight: 487.384503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H20BrFN2O2S/c1-2-21(23(29)26-16-12-10-15(24)11-13-16)30-18-7-5-6-17(14-18)27-22(28)19-8-3-4-9-20(19)25/h3-14,21H,2H2,1H3,(H,26,29)(H,27,28)