2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl]thio]cinchoninamide Formula: C20H17ClFN3O2S MolecularWeight: 417.884283

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C20H17ClFN3O2S/c1-25(10-14-15(21)6-4-7-16(14)22)19(26)11-28-18-9-13(20(23)27)12-5-2-3-8-17(12)24-18/h2-9H,10-11H2,1H3,(H2,23,27)