6-ethanoyl-N-(phenylazanylcarbamothioyl)-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-N-(phenylazanylcarbamothioyl)-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(anilinocarbamothioyl)-2-[(E)-styryl]quinoline-4-carboxamide CAS Name: 6-acetyl-2-[(E)-2-phenylethenyl]-N-[(phenylhydrazo)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-(anilinocarbamothioyl)-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Traditional Name: 6-acetyl-N-(anilinothiocarbamoyl)-2-[(E)-styryl]cinchoninamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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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=CC=C3)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O2S/c1-18(32)20-13-15-25-23(16-20)24(17-22(28-25)14-12-19-8-4-2-5-9-19)26(33)29-27(34)31-30-21-10-6-3-7-11-21/h2-17,30H,1H3,(H2,29,31,33,34)/b14-12+