N-cyclopropyl-2-[1-[(4-nitrophenyl)carbamoylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-[(4-nitrophenyl)carbamoylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[1-methyl-2-[(4-nitrophenyl)carbamoylamino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-[[(4-nitroanilino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-[(4-nitrophenyl)carbamoylamino]-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-1-methyl-2-[(4-nitrophenyl)carbamoylamino]ethyl]thio]cinchoninamide Formula: C23H21N5O5S MolecularWeight: 479.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O5S/c1-13(21(29)27-23(31)25-15-8-10-16(11-9-15)28(32)33)34-20-12-18(22(30)24-14-6-7-14)17-4-2-3-5-19(17)26-20/h2-5,8-14H,6-7H2,1H3,(H,24,30)(H2,25,27,29,31)