N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]-2-(2-thienyl)cinchoninamide Formula: C29H27N5OS MolecularWeight: 493.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)N6CCN(CC6)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)N6CCN(CC6)C

InChI

InChI=1S/C29H27N5OS/c1-19-16-28(34-13-11-33(2)12-14-34)32-25-10-9-20(17-22(19)25)30-29(35)23-18-26(27-8-5-15-36-27)31-24-7-4-3-6-21(23)24/h3-10,15-18H,11-14H2,1-2H3,(H,30,35)