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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(4-ethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide Traditional Name: 2-(4-ethylphenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C31H29N3OS MolecularWeight: 491.64646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C(C)CC

InChI

InChI=1S/C31H29N3OS/c1-4-20(3)22-14-16-24(17-15-22)29-19-36-31(33-29)34-30(35)26-18-28(23-12-10-21(5-2)11-13-23)32-27-9-7-6-8-25(26)27/h6-20H,4-5H2,1-3H3,(H,33,34,35)