N-cyclopropyl-2-[1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[1-methyl-2-oxo-2-(5-quinolylamino)ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-oxo-1-(5-quinolinylamino)propan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-oxo-1-(quinolin-5-ylamino)propan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-1-methyl-2-(5-quinolylamino)ethyl]thio]cinchoninamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

InChI

InChI=1S/C25H22N4O2S/c1-15(24(30)29-22-10-4-9-20-18(22)7-5-13-26-20)32-23-14-19(25(31)27-16-11-12-16)17-6-2-3-8-21(17)28-23/h2-10,13-16H,11-12H2,1H3,(H,27,31)(H,29,30)