N-cyclopropyl-2-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[2-(2-benzylanilino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-(2-benzylanilino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(2-benzylanilino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

InChI

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