2-[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(2,5-dichloroanilino)-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C22H19Cl2N3O2S MolecularWeight: 460.37616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H19Cl2N3O2S/c1-12(21(28)27-19-10-13(23)6-9-17(19)24)30-20-11-16(22(29)25-14-7-8-14)15-4-2-3-5-18(15)26-20/h2-6,9-12,14H,7-8H2,1H3,(H,25,29)(H,27,28)