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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)cinchoninamide Formula: C32H25N3O3S MolecularWeight: 531.6242

Click to see the large picture

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=C(C=C6)C(C)C

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=C(C=C6)C(C)C

InChI

InChI=1S/C32H25N3O3S/c1-18(2)20-8-10-21(11-9-20)30-19(3)39-32(25(30)16-33)35-31(36)24-15-27(34-26-7-5-4-6-23(24)26)22-12-13-28-29(14-22)38-17-37-28/h4-15,18H,17H2,1-3H3,(H,35,36)