5-bromanyl-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: 5-bromanyl-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]carbonylamino]benzamide Openeye Name: 5-bromo-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]-2-[[3-(4-pyridylsulfanylmethyl)benzoyl]amino]benzamide CAS Name: 5-bromo-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[oxo-[3-[(pyridin-4-ylthio)methyl]phenyl]methyl]amino]benzamide IUPAC Name: 5-bromo-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-(pyridin-4-ylsulfanylmethyl)benzoyl]amino]benzamide Traditional Name: 5-bromo-N-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]-2-[[3-[(4-pyridylthio)methyl]benzoyl]amino]benzamide Formula: C28H19BrClF3N4O2S MolecularWeight: 647.89327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=NC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)NN=CC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=NC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)N/N=C/C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C28H19BrClF3N4O2S/c29-20-5-7-25(36-26(38)19-3-1-2-18(12-19)16-40-21-8-10-34-11-9-21)22(14-20)27(39)37-35-15-17-4-6-24(30)23(13-17)28(31,32)33/h1-15H,16H2,(H,36,38)(H,37,39)/b35-15+