2-bromanyl-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide

Systemtic Name: 2-bromanyl-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide Openeye Name: 2-bromo-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide CAS Name: 2-bromo-N-[1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethylideneamino]benzamide IUPAC Name: 2-bromo-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide Traditional Name: 2-bromo-N-[1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]ethylideneamino]benzamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1Br)C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3

Isomeric SMILES

CC(=NNC(=O)C1=CC=CC=C1Br)C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3

InChI

InChI=1S/C21H19BrN4O2S/c1-14(25-26-20(27)17-6-3-4-7-18(17)22)15-8-9-19(28-2)16(12-15)13-29-21-23-10-5-11-24-21/h3-12H,13H2,1-2H3,(H,26,27)