N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5-dimethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)cinchoninamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C27H27N3O2S/c1-15-16(2)33-26(23(15)24(28)31)30-25(32)20-14-22(29-21-9-7-6-8-19(20)21)17-10-12-18(13-11-17)27(3,4)5/h6-14H,1-5H3,(H2,28,31)(H,30,32)