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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-p-phenetyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C31H29N3O2S MolecularWeight: 507.64586

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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(C=C5)OCC

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O2S/c1-4-20(3)21-10-12-23(13-11-21)29-19-37-31(33-29)34-30(35)26-18-28(32-27-9-7-6-8-25(26)27)22-14-16-24(17-15-22)36-5-2/h6-20H,4-5H2,1-3H3,(H,33,34,35)