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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]cinchoninamide Formula: C30H21N3O3S MolecularWeight: 503.57104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C30H21N3O3S/c1-17-7-9-19(10-8-17)28-18(2)37-30(23(28)15-31)33-29(34)22-14-25(32-24-6-4-3-5-21(22)24)20-11-12-26-27(13-20)36-16-35-26/h3-14H,16H2,1-2H3,(H,33,34)