2-[2-[(2-cyanophenyl)carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[(2-cyanophenyl)carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[(2-cyanophenyl)carbamoylamino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[[(2-cyanoanilino)-oxomethyl]amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[(2-cyanophenyl)carbamoylamino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[(2-cyanophenyl)carbamoylamino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C23H19N5O3S/c24-12-14-5-1-3-7-18(14)27-23(31)28-20(29)13-32-21-11-17(22(30)25-15-9-10-15)16-6-2-4-8-19(16)26-21/h1-8,11,15H,9-10,13H2,(H,25,30)(H2,27,28,29,31)