N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]ethylideneamino]-piperonylamide Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=C(C=C3)OC)CSC4=NC=CC=N4

Isomeric SMILES

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=C(C=C3)OC)CSC4=NC=CC=N4

InChI

InChI=1S/C22H20N4O4S/c1-14(25-26-21(27)16-5-7-19-20(11-16)30-13-29-19)15-4-6-18(28-2)17(10-15)12-31-22-23-8-3-9-24-22/h3-11H,12-13H2,1-2H3,(H,26,27)