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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]cinchoninamide Formula: C33H27N3O3S MolecularWeight: 545.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=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

CCC(C)C1=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/C33H27N3O3S/c1-4-19(2)21-9-11-22(12-10-21)31-20(3)40-33(26(31)17-34)36-32(37)25-16-28(35-27-8-6-5-7-24(25)27)23-13-14-29-30(15-23)39-18-38-29/h5-16,19H,4,18H2,1-3H3,(H,36,37)