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

Systemtic Name: 6-ethanoyl-N-[(2-methylphenyl)carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(o-tolylcarbamothioyl)-2-[(E)-styryl]quinoline-4-carboxamide CAS Name: 6-acetyl-N-[(2-methylanilino)-sulfanylidenemethyl]-2-[(E)-2-phenylethenyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(2-methylphenyl)carbamothioyl]-2-[(E)-2-phenylethenyl]quinoline-4-carboxamide Traditional Name: 6-acetyl-N-(o-tolylthiocarbamoyl)-2-[(E)-styryl]cinchoninamide Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O2S/c1-18-8-6-7-11-25(18)30-28(34)31-27(33)24-17-22(14-12-20-9-4-3-5-10-20)29-26-15-13-21(19(2)32)16-23(24)26/h3-17H,1-2H3,(H2,30,31,33,34)/b14-12+