N-[4-[2-(3-bromophenyl)sulfanylethylsulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-(3-bromophenyl)sulfanylethylsulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(3-bromophenyl)sulfanylethylsulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[2-[(3-bromophenyl)thio]ethylthio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(3-bromophenyl)sulfanylethylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-[(3-bromophenyl)thio]ethylthio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19BrFN3O2S2 MolecularWeight: 520.437563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NSCCSC3=CC(=CC=C3)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NSCCSC3=CC(=CC=C3)Br)F

InChI

InChI=1S/C22H19BrFN3O2S2/c23-15-4-3-5-18(14-15)30-12-13-31-27-22(29)26-17-10-8-16(9-11-17)25-21(28)19-6-1-2-7-20(19)24/h1-11,14H,12-13H2,(H,25,28)(H2,26,27,29)