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

Systemtic Name: 2-(4-ethylphenyl)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)-N-[4-(4-isobutylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(4-ethylphenyl)-N-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(4-ethylphenyl)-N-[4-(4-isobutylphenyl)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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3OS/c1-4-21-9-13-23(14-10-21)28-18-26(25-7-5-6-8-27(25)32-28)30(35)34-31-33-29(19-36-31)24-15-11-22(12-16-24)17-20(2)3/h5-16,18-20H,4,17H2,1-3H3,(H,33,34,35)