N-(3-aminocarbonyl-5-propan-2-yl-thiophen-2-yl)-2-(3-butoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5-propan-2-yl-thiophen-2-yl)-2-(3-butoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-5-isopropyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-5-propan-2-yl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-5-isopropyl-2-thienyl)cinchoninamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)C(C)C)C(=O)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)C(C)C)C(=O)N

InChI

InChI=1S/C28H29N3O3S/c1-4-5-13-34-19-10-8-9-18(14-19)24-15-21(20-11-6-7-12-23(20)30-24)27(33)31-28-22(26(29)32)16-25(35-28)17(2)3/h6-12,14-17H,4-5,13H2,1-3H3,(H2,29,32)(H,31,33)