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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H23N3OS2/c1-17(2)14-18-9-11-19(12-10-18)24-16-33-27(29-24)30-26(31)21-15-23(25-8-5-13-32-25)28-22-7-4-3-6-20(21)22/h3-13,15-17H,14H2,1-2H3,(H,29,30,31)