N-[(E)-1-(1,3-benzodioxol-5-yl)propan-2-ylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)propan-2-ylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(E)-[2-(1,3-benzodioxol-5-yl)-1-methyl-ethylidene]amino]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)propan-2-ylideneamino]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)propan-2-ylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(E)-[2-(1,3-benzodioxol-5-yl)-1-methyl-ethylidene]amino]-2-(2-thienyl)cinchoninamide Formula: C24H19N3O3S MolecularWeight: 429.49096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)/CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19N3O3S/c1-15(11-16-8-9-21-22(12-16)30-14-29-21)26-27-24(28)18-13-20(23-7-4-10-31-23)25-19-6-3-2-5-17(18)19/h2-10,12-13H,11,14H2,1H3,(H,27,28)/b26-15+