N-(azanylcarbamothioyl)-6-ethanoyl-2-(4-nitrophenyl)quinoline-4-carboxamide

Systemtic Name: N-(azanylcarbamothioyl)-6-ethanoyl-2-(4-nitrophenyl)quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(aminocarbamothioyl)-2-(4-nitrophenyl)quinoline-4-carboxamide CAS Name: 6-acetyl-N-[hydrazinyl(sulfanylidene)methyl]-2-(4-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-(aminocarbamothioyl)-2-(4-nitrophenyl)quinoline-4-carboxamide Traditional Name: 6-acetyl-N-(aminothiocarbamoyl)-2-(4-nitrophenyl)cinchoninamide Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NN)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NN)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-10(25)12-4-7-16-14(8-12)15(18(26)22-19(29)23-20)9-17(21-16)11-2-5-13(6-3-11)24(27)28/h2-9H,20H2,1H3,(H2,22,23,26,29)