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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5-methyl-4-phenyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5-methyl-4-phenyl-2-thienyl)cinchoninamide Formula: C29H19N3O3S MolecularWeight: 489.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=CC=CC=C6

InChI

InChI=1S/C29H19N3O3S/c1-17-27(18-7-3-2-4-8-18)22(15-30)29(36-17)32-28(33)21-14-24(31-23-10-6-5-9-20(21)23)19-11-12-25-26(13-19)35-16-34-25/h2-14H,16H2,1H3,(H,32,33)