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

Systemtic Name: 2-phenyl-N-[[(4-propoxyphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[[(4-propoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide CAS Name: N-[[[oxo-(4-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[[(4-propoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[[(4-propoxybenzoyl)amino]thiocarbamoyl]cinchoninamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O3S/c1-2-16-34-20-14-12-19(13-15-20)25(32)30-31-27(35)29-26(33)22-17-24(18-8-4-3-5-9-18)28-23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3,(H,30,32)(H2,29,31,33,35)