N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-(4-sec-butylphenyl)thiazol-2-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[4-(4-sec-butylphenyl)thiazol-2-yl]-2-(2-thienyl)cinchoninamide Formula: C27H23N3OS2 MolecularWeight: 469.62102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H23N3OS2/c1-3-17(2)18-10-12-19(13-11-18)24-16-33-27(29-24)30-26(31)21-15-23(25-9-6-14-32-25)28-22-8-5-4-7-20(21)22/h4-17H,3H2,1-2H3,(H,29,30,31)