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

Systemtic Name: N-cyclopropyl-2-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]thio]cinchoninamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H20N4O4S/c1-13-17(7-4-8-19(13)26(29)30)24-20(27)12-31-21-11-16(22(28)23-14-9-10-14)15-5-2-3-6-18(15)25-21/h2-8,11,14H,9-10,12H2,1H3,(H,23,28)(H,24,27)