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

Systemtic Name: 2-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C23H20N4O2S2/c24-11-12-30-20-8-4-3-7-19(20)26-21(28)14-31-22-13-17(23(29)25-15-9-10-15)16-5-1-2-6-18(16)27-22/h1-8,13,15H,9-10,12,14H2,(H,25,29)(H,26,28)