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

Systemtic Name: 6-ethanoyl-N-(phenylcarbamothioyl)-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(phenylcarbamothioyl)-2-[(E)-styryl]quinoline-4-carboxamide CAS Name: 6-acetyl-N-[anilino(sulfanylidene)methyl]-2-[(E)-2-phenylethenyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-(phenylcarbamothioyl)-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Traditional Name: 6-acetyl-N-(phenylthiocarbamoyl)-2-[(E)-styryl]cinchoninamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NC3=CC=CC=C3)C=CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NC3=CC=CC=C3)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O2S/c1-18(31)20-13-15-25-23(16-20)24(17-22(28-25)14-12-19-8-4-2-5-9-19)26(32)30-27(33)29-21-10-6-3-7-11-21/h2-17H,1H3,(H2,29,30,32,33)/b14-12+