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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]cinchoninamide Formula: C31H23N3O3S MolecularWeight: 517.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C31H23N3O3S/c1-3-19-8-10-20(11-9-19)29-18(2)38-31(24(29)16-32)34-30(35)23-15-26(33-25-7-5-4-6-22(23)25)21-12-13-27-28(14-21)37-17-36-27/h4-15H,3,17H2,1-2H3,(H,34,35)