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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C(C)(C)C

InChI

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