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

Systemtic Name: 2-[1-[(4-chloranyl-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(4-chloro-2-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[1-(4-chloro-2-nitroanilino)-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-chloro-2-nitroanilino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(4-chloro-2-nitro-anilino)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H19ClN4O4S/c1-12(21(28)26-18-9-6-13(23)10-19(18)27(30)31)32-20-11-16(22(29)24-14-7-8-14)15-4-2-3-5-17(15)25-20/h2-6,9-12,14H,7-8H2,1H3,(H,24,29)(H,26,28)