N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-cyclopropyl-N-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-N-[4-(cyclopropylcarbamoyl)benzyl]-2-(2-thienyl)cinchoninamide Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C28H25N3O2S/c32-27(29-20-11-12-20)19-9-7-18(8-10-19)17-31(21-13-14-21)28(33)23-16-25(26-6-3-15-34-26)30-24-5-2-1-4-22(23)24/h1-10,15-16,20-21H,11-14,17H2,(H,29,32)