6-ethanoyl-N-[[(4-nitrophenyl)amino]carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-N-[[(4-nitrophenyl)amino]carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Openeye Name: 6-acetyl-N-[(4-nitroanilino)carbamothioyl]-2-[(E)-styryl]quinoline-4-carboxamide CAS Name: 6-acetyl-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]-2-[(E)-2-phenylethenyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(4-nitroanilino)carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Traditional Name: 6-acetyl-N-[(4-nitroanilino)thiocarbamoyl]-2-[(E)-styryl]cinchoninamide Formula: C27H21N5O4S MolecularWeight: 511.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-])C=CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-])/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H21N5O4S/c1-17(33)19-8-14-25-23(15-19)24(16-21(28-25)9-7-18-5-3-2-4-6-18)26(34)29-27(37)31-30-20-10-12-22(13-11-20)32(35)36/h2-16,30H,1H3,(H2,29,31,34,37)/b9-7+