N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-2-(2-thienyl)cinchoninamide Formula: C28H19N3O3S2 MolecularWeight: 509.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H19N3O3S2/c1-16-20(14-29)28(36-26(16)12-17-8-9-23-24(11-17)34-15-33-23)31-27(32)19-13-22(25-7-4-10-35-25)30-21-6-3-2-5-18(19)21/h2-11,13H,12,15H2,1H3,(H,31,32)