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

Systemtic Name: N-(azanylcarbamothioyl)-6-ethanoyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(aminocarbamothioyl)-2-[(E)-styryl]quinoline-4-carboxamide CAS Name: 6-acetyl-N-[hydrazinyl(sulfanylidene)methyl]-2-[(E)-2-phenylethenyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-(aminocarbamothioyl)-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Traditional Name: 6-acetyl-N-(aminothiocarbamoyl)-2-[(E)-styryl]cinchoninamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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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)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-13(26)15-8-10-19-17(11-15)18(20(27)24-21(28)25-22)12-16(23-19)9-7-14-5-3-2-4-6-14/h2-12H,22H2,1H3,(H2,24,25,27,28)/b9-7+