6-ethanoyl-N-[(3-methoxyphenyl)carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-N-[(3-methoxyphenyl)carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Openeye Name: 6-acetyl-N-[(3-methoxyphenyl)carbamothioyl]-2-[(E)-styryl]quinoline-4-carboxamide CAS Name: 6-acetyl-N-[(3-methoxyanilino)-sulfanylidenemethyl]-2-[(E)-2-phenylethenyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(3-methoxyphenyl)carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Traditional Name: 6-acetyl-N-[(3-methoxyphenyl)thiocarbamoyl]-2-[(E)-styryl]cinchoninamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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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)OC)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)OC)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O3S/c1-18(32)20-12-14-26-24(15-20)25(17-22(29-26)13-11-19-7-4-3-5-8-19)27(33)31-28(35)30-21-9-6-10-23(16-21)34-2/h3-17H,1-2H3,(H2,30,31,33,35)/b13-11+