N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[2-[4-(4-methoxyphenyl)piperazino]ethyl]-2-(2-thienyl)cinchoninamide Formula: C27H28N4O2S MolecularWeight: 472.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H28N4O2S/c1-33-21-10-8-20(9-11-21)31-16-14-30(15-17-31)13-12-28-27(32)23-19-25(26-7-4-18-34-26)29-24-6-3-2-5-22(23)24/h2-11,18-19H,12-17H2,1H3,(H,28,32)