N-[(4-ethoxyphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(4-ethoxyphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(4-ethoxyphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(4-ethoxyanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: 2-phenyl-N-(p-phenetylthiocarbamoyl)cinchoninamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2S/c1-2-30-19-14-12-18(13-15-19)26-25(31)28-24(29)21-16-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16H,2H2,1H3,(H2,26,28,29,31)