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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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