N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2-(5-chloro-2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2-(5-chloro-2-thienyl)cinchoninamide Formula: C27H22ClN3OS2 MolecularWeight: 504.06608

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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=C(S5)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C27H22ClN3OS2/c1-27(2,3)17-10-8-16(9-11-17)22-15-33-26(30-22)31-25(32)19-14-21(23-12-13-24(28)34-23)29-20-7-5-4-6-18(19)20/h4-15H,1-3H3,(H,30,31,32)