N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H23BrFN3OS2 MolecularWeight: 580.534123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C28H23BrFN3OS2/c1-18-10-13-21(14-11-18)31-28(35)32-22-8-5-9-23(17-22)36-26(19-6-3-2-4-7-19)27(34)33-25-15-12-20(29)16-24(25)30/h2-17,26H,1H3,(H,33,34)(H2,31,32,35)