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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]cinchoninamide Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C

InChI

InChI=1S/C28H24N4O4S/c1-4-32(5-2)28(34)25-16(3)20(14-29)27(37-25)31-26(33)19-13-22(30-21-9-7-6-8-18(19)21)17-10-11-23-24(12-17)36-15-35-23/h6-13H,4-5,15H2,1-3H3,(H,31,33)