N-cyclopropyl-2-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]cinchoninamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H22N4O4S/c1-13-7-10-16(27(30)31)11-20(13)26-22(28)14(2)32-21-12-18(23(29)24-15-8-9-15)17-5-3-4-6-19(17)25-21/h3-7,10-12,14-15H,8-9H2,1-2H3,(H,24,29)(H,26,28)