N-cyclopropyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]thio]cinchoninamide Formula: C25H25FN4O2S MolecularWeight: 464.555003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H25FN4O2S/c26-20-6-2-4-8-22(20)29-11-13-30(14-12-29)24(31)16-33-23-15-19(25(32)27-17-9-10-17)18-5-1-3-7-21(18)28-23/h1-8,15,17H,9-14,16H2,(H,27,32)