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

Systemtic Name: 2-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[N-(cyanomethyl)anilino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c24-12-13-27(17-6-2-1-3-7-17)22(28)15-30-21-14-19(23(29)25-16-10-11-16)18-8-4-5-9-20(18)26-21/h1-9,14,16H,10-11,13,15H2,(H,25,29)