2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H17ClN4O2S MolecularWeight: 436.91398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H17ClN4O2S/c23-18-9-15(6-5-13(18)11-24)25-20(28)12-30-21-10-17(22(29)26-14-7-8-14)16-3-1-2-4-19(16)27-21/h1-6,9-10,14H,7-8,12H2,(H,25,28)(H,26,29)