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

Systemtic Name: N-cyclopropyl-2-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-(4-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=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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