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

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

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=C(S5)Cl

Isomeric SMILES

CCC(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/c1-3-16(2)17-8-10-18(11-9-17)23-15-33-27(30-23)31-26(32)20-14-22(24-12-13-25(28)34-24)29-21-7-5-4-6-19(20)21/h4-16H,3H2,1-2H3,(H,30,31,32)